-
2
-
-
0011083499
-
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
-
Reed AE, Curtiss LA, Weinhold F. Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint. Chem Rev 1988, 88:899-926.
-
(1988)
Chem Rev
, vol.88
, pp. 899-926
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
3
-
-
0000717334
-
Intensities of electronic transitions in molecular spectra. IV. Cyclic dienes and hyperconjugation
-
Mulliken RS. Intensities of electronic transitions in molecular spectra. IV. Cyclic dienes and hyperconjugation. J Chem Phys 1939, 7:339-352.
-
(1939)
J Chem Phys
, vol.7
, pp. 339-352
-
-
Mulliken, R.S.1
-
5
-
-
0000406044
-
Configuration determination of quinolizidine derivatives
-
Bohlmann F. Configuration determination of quinolizidine derivatives. Angew Chem 1957, 69:641-642.
-
(1957)
Angew Chem
, vol.69
, pp. 641-642
-
-
Bohlmann, F.1
-
6
-
-
0000535981
-
A theoretical study of conformational deuterium isotope effects and bond dissociation energies of diastereotopic hydrogens
-
Wolfe S, Kim CK. A theoretical study of conformational deuterium isotope effects and bond dissociation energies of diastereotopic hydrogens. Can J Chem 1991, 69:1408-1412.
-
(1991)
Can J Chem
, vol.69
, pp. 1408-1412
-
-
Wolfe, S.1
Kim, C.K.2
-
7
-
-
35948972497
-
Manifestations of stereoelectronic interactions in JC-H one-bond coupling constants
-
Juaristi E, Cuevas G. Manifestations of stereoelectronic interactions in JC-H one-bond coupling constants. Acc Chem Res 2007, 40:961-970.
-
(2007)
Acc Chem Res
, vol.40
, pp. 961-970
-
-
Juaristi, E.1
Cuevas, G.2
-
8
-
-
84936964332
-
Geometry and conformational properties of some five- and six-membered heterocyclic compounds containing oxygen or sulfur
-
Romers C, Altona C, Buys HR, Havinga E. Geometry and conformational properties of some five- and six-membered heterocyclic compounds containing oxygen or sulfur. Topics Stereochem 1969, 4:39-97.
-
(1969)
Topics Stereochem
, vol.4
, pp. 39-97
-
-
Romers, C.1
Altona, C.2
Buys, H.R.3
Havinga, E.4
-
10
-
-
0026736199
-
Recent studies on the anomeric effect
-
Juaristi E, Cuevas G. Recent studies on the anomeric effect. Tetrahedron 1992, 48:5019-5087.
-
(1992)
Tetrahedron
, vol.48
, pp. 5019-5087
-
-
Juaristi, E.1
Cuevas, G.2
-
11
-
-
84936964333
-
Anomeric effect: origin and consequences
-
Graczyk PP, Mikolajczyk M. Anomeric effect: origin and consequences. Top Stereochem 1994, 21:159-349.
-
(1994)
Top Stereochem
, vol.21
, pp. 159-349
-
-
Graczyk, P.P.1
Mikolajczyk, M.2
-
13
-
-
0003740356
-
The Anomeric Effect and Associated Stereoelectronic effects
-
Thatcher GRJ, ed. Washington, DC: American Chemical Society;
-
The Anomeric Effect and Associated Stereoelectronic effects. In: Thatcher GRJ, ed. ACS Symposium Series 539. Washington, DC: American Chemical Society; 1993.
-
(1993)
ACS Symposium Series 539
-
-
-
16
-
-
0033525715
-
The effect of a para substituent on the conformational preference of 2,2-diphenyl-1,3-dioxanes: evidence for the anomeric effect from X-ray crystal structure analysis
-
Uehara F, Sato M, Kaneko C, Kurihara H. The effect of a para substituent on the conformational preference of 2, 2-diphenyl-1, 3-dioxanes: evidence for the anomeric effect from X-ray crystal structure analysis. J Org Chem 1999, 64:1436-1441.
-
(1999)
J Org Chem
, vol.64
, pp. 1436-1441
-
-
Uehara, F.1
Sato, M.2
Kaneko, C.3
Kurihara, H.4
-
17
-
-
85005722995
-
Natural bond orbital analysis of internal rotation barriers and related phenomena
-
Reed AE, Weinhold F. Natural bond orbital analysis of internal rotation barriers and related phenomena. Isr J Chem 1991, 31:277-285.
-
(1991)
Isr J Chem
, vol.31
, pp. 277-285
-
-
Reed, A.E.1
Weinhold, F.2
-
18
-
-
0001220485
-
Flexing analysis of ethane internal rotation energetics
-
Goodman L, Pophristic V, Gu H. Flexing analysis of ethane internal rotation energetics. J Chem Phys 1999, 110:4268-4275.
-
(1999)
J Chem Phys
, vol.110
, pp. 4268-4275
-
-
Goodman, L.1
Pophristic, V.2
Gu, H.3
-
20
-
-
0000041576
-
Hyperconjugation as it effects conformational analysis
-
Cramer CJ. Hyperconjugation as it effects conformational analysis. J Mol Struct: Theochem 1996, 370:135-146.
-
(1996)
J Mol Struct: Theochem
, vol.370
, pp. 135-146
-
-
Cramer, C.J.1
-
21
-
-
0001171339
-
Role of lone-pairs in internal rotation barriers
-
Pophristic V, Goodman L, Guchhait N. Role of lone-pairs in internal rotation barriers. J Phys Chem A 1997, 101:4290-4297.
-
(1997)
J Phys Chem A
, vol.101
, pp. 4290-4297
-
-
Pophristic, V.1
Goodman, L.2
Guchhait, N.3
-
22
-
-
36449009338
-
Understanding barriers to internal rotation in substituted toluenes and their cations
-
Lu KT, Weinhold F, Weishaar JC. Understanding barriers to internal rotation in substituted toluenes and their cations. J Chem Phys 1995, 102:6787-6805.
-
(1995)
J Chem Phys
, vol.102
, pp. 6787-6805
-
-
Lu, K.T.1
Weinhold, F.2
Weishaar, J.C.3
-
23
-
-
0002994232
-
Delocalization into anti antibond orbitals
-
Baddeley G. Delocalization into anti antibond orbitals. Tetrahedron Lett 1973, 14:1645-1648.
-
(1973)
Tetrahedron Lett
, vol.14
, pp. 1645-1648
-
-
Baddeley, G.1
-
24
-
-
0347165526
-
Stereoelectronic effects on the nucleophilic addition of phosphite to the carbonyl double bond. Ab initio molecular orbital calculations on reaction surfaces and the σ-effect
-
Chang JWA, Taira K, Urano S, Sorenstein DG. Stereoelectronic effects on the nucleophilic addition of phosphite to the carbonyl double bond. Ab initio molecular orbital calculations on reaction surfaces and the σ-effect. Tetrahedron 1987, 43:3863-3874.
-
(1987)
Tetrahedron
, vol.43
, pp. 3863-3874
-
-
Chang, J.W.A.1
Taira, K.2
Urano, S.3
Sorenstein, D.G.4
-
25
-
-
0031765069
-
An unusual ground-state stabilization effect and origins of the σ-effect in aminolysis of Y-substituted phenyl X-substituted benzoates
-
Um IH, Chung EK, Lee SM. An unusual ground-state stabilization effect and origins of the σ-effect in aminolysis of Y-substituted phenyl X-substituted benzoates. Can J Chem 1998, 76:729-737.
-
(1998)
Can J Chem
, vol.76
, pp. 729-737
-
-
Um, I.H.1
Chung, E.K.2
Lee, S.M.3
-
26
-
-
19944410568
-
Stereoelectronic control in the cleavage of tetrahedral intermediates in the hydrolysis of esters and amides
-
Deslongchamps P. Stereoelectronic control in the cleavage of tetrahedral intermediates in the hydrolysis of esters and amides. Tetrahedron 1975, 31:2463-2490.
-
(1975)
Tetrahedron
, vol.31
, pp. 2463-2490
-
-
Deslongchamps, P.1
-
27
-
-
0000802158
-
The problem of regioselectivity in nucleophilic additions to pyridinium and related cations. Role of generalized anomeric effect
-
Doddi G, Ercolani G, Mencarelli P. The problem of regioselectivity in nucleophilic additions to pyridinium and related cations. Role of generalized anomeric effect. J Org Chem 1992, 57:4431-4434.
-
(1992)
J Org Chem
, vol.57
, pp. 4431-4434
-
-
Doddi, G.1
Ercolani, G.2
Mencarelli, P.3
-
28
-
-
0027293160
-
The substituent effect of a β-carbon-oxygen bond in radical reactions
-
Roberts BP, Steel AJ. The substituent effect of a β-carbon-oxygen bond in radical reactions. Tetrahedron Lett 1993, 34:5167-5170.
-
(1993)
Tetrahedron Lett
, vol.34
, pp. 5167-5170
-
-
Roberts, B.P.1
Steel, A.J.2
-
29
-
-
0000470446
-
Absence of intramolecular charge-transfer quenching in photoexcited 4-benzoylpiperidines
-
Wagner PJ, Scheve BJ. Absence of intramolecular charge-transfer quenching in photoexcited 4-benzoylpiperidines. J Am Chem Soc. 1977, 99:1858-1863.
-
(1977)
J Am Chem Soc.
, vol.99
, pp. 1858-1863
-
-
Wagner, P.J.1
Scheve, B.J.2
-
30
-
-
0032900270
-
The β-effect of silicon and related manifestations of σ conjugation
-
Lambert JB, Zhao Y, Emblidge RW, Salvador LA, Liu X, et al. The β-effect of silicon and related manifestations of σ conjugation Acc Chem Res 1999, 32:183-190.
-
(1999)
Acc Chem Res
, vol.32
, pp. 183-190
-
-
Lambert, J.B.1
Zhao, Y.2
Emblidge, R.W.3
Salvador, L.A.4
Liu, X.5
-
31
-
-
0001646485
-
*-orbitals: explanations, predictions and experimental tests
-
*-orbitals: explanations, predictions and experimental tests. J Chem Soc Chem Commun 1998:1919-1925.
-
(1998)
J Chem Soc Chem Commun
, pp. 1919-1925
-
-
Borden, W.T.1
-
32
-
-
0034674322
-
Synthesis of medium-sized rings by the ring-closing metathesis reaction
-
Maier ME. Synthesis of medium-sized rings by the ring-closing metathesis reaction. Angew Chem Int Ed Engl 2000, 39:2073-2077.
-
(2000)
Angew Chem Int Ed Engl
, vol.39
, pp. 2073-2077
-
-
Maier, M.E.1
-
33
-
-
0032508001
-
The quasi-homo-anomeric interaction in substituted tetrahydropyranyl radicals: diastereoselectivity
-
Beckwith ALJ, Duggan PJ. The quasi-homo-anomeric interaction in substituted tetrahydropyranyl radicals: diastereoselectivity. Tetrahedron 1998, 54:6919-6928.
-
(1998)
Tetrahedron
, vol.54
, pp. 6919-6928
-
-
Beckwith, A.L.J.1
Duggan, P.J.2
-
34
-
-
0001220180
-
Strong or isovalent hyperconjugation in some alkyl radicals and their positive ions
-
Muller N, Mulliken RS. Strong or isovalent hyperconjugation in some alkyl radicals and their positive ions. J Am Chem Soc 1958, 80:3489-3497.
-
(1958)
J Am Chem Soc
, vol.80
, pp. 3489-3497
-
-
Muller, N.1
Mulliken, R.S.2
-
35
-
-
0029890891
-
Ab Initio study of the effect of fluorination upon the structure and configurational stability of σ-sulfonyl carbanions: the role of negative hyperconjugation
-
Raabe G, Gais HJ, Fleischhauer J. Ab Initio study of the effect of fluorination upon the structure and configurational stability of σ-sulfonyl carbanions: the role of negative hyperconjugation. J Am Chem Soc 1996, 118:4622-4630.
-
(1996)
J Am Chem Soc
, vol.118
, pp. 4622-4630
-
-
Raabe, G.1
Gais, H.J.2
Fleischhauer, J.3
-
36
-
-
0000531448
-
Stereoelectronic effects in negatively and positively (protonated) charged species. Ab initio studies of the anomeric effect in 1,3-dioxa systems
-
Ganguly B, Fuchs B.Stereoelectronic effects in negatively and positively (protonated) charged species. Ab initio studies of the anomeric effect in 1, 3-dioxa systems. J Org Chem 1997, 62:8892-8901.
-
(1997)
J Org Chem
, vol.62
, pp. 8892-8901
-
-
Ganguly, B.1
Fuchs, B.2
-
37
-
-
0000393810
-
1-Methyl-1-cyclohexyl cations. Equilibria in search of structures
-
Kirchen RP, Ranganayakulu K, Sorensen TS. 1-Methyl-1-cyclohexyl cations. Equilibria in search of structures. J Am Chem Soc 1987, 109:7811-7816.
-
(1987)
J Am Chem Soc
, vol.109
, pp. 7811-7816
-
-
Kirchen, R.P.1
Ranganayakulu, K.2
Sorensen, T.S.3
-
38
-
-
30244443082
-
Nature of H-bonding in clusters, liquids, and enzymes: an ab initio, natural bond orbital perspective
-
Weinhold F. Nature of H-bonding in clusters, liquids, and enzymes: an ab initio, natural bond orbital perspective. J Mol Struct: Theochem 1997, 398:181-197.
-
(1997)
J Mol Struct: Theochem
, vol.398
, pp. 181-197
-
-
Weinhold, F.1
-
39
-
-
33845556967
-
Stereochemistry of nucleophilic addition to cyclohexanone. The importance of two-electron stabilizing interactions
-
Cieplak AS. Stereochemistry of nucleophilic addition to cyclohexanone. The importance of two-electron stabilizing interactions. J Am Chem Soc 1981, 103:4540-4552.
-
(1981)
J Am Chem Soc
, vol.103
, pp. 4540-4552
-
-
Cieplak, A.S.1
-
40
-
-
33845183424
-
Reversal of π-facial diastereoselection upon electronegative substitution of the substrate and the reagent
-
Cieplak AS, Tait BD, Johnson CR. Reversal of π-facial diastereoselection upon electronegative substitution of the substrate and the reagent. J Am Chem Soc 1989, 111:8447-8462.
-
(1989)
J Am Chem Soc
, vol.111
, pp. 8447-8462
-
-
Cieplak, A.S.1
Tait, B.D.2
Johnson, C.R.3
-
41
-
-
49949128203
-
Torsional strain involving partial bonds. The stereochemistry of the lithium aluminum hydride reduction of some simple open-chain ketones
-
Cherest M, Felkin H, Prudent N. Torsional strain involving partial bonds. The stereochemistry of the lithium aluminum hydride reduction of some simple open-chain ketones. Tetrahedron Lett 1968, 9:2199-2204.
-
(1968)
Tetrahedron Lett
, vol.9
, pp. 2199-2204
-
-
Cherest, M.1
Felkin, H.2
Prudent, N.3
-
42
-
-
0001078912
-
Torsional strain involving partial bonds. The steric course of the reaction between allyl magnesium bromide and 4-tert-butylcyclohexanone
-
Cherest M, Felkin H. Torsional strain involving partial bonds. The steric course of the reaction between allyl magnesium bromide and 4-tert-butylcyclohexanone. Tetrahedron Lett 1968, 18:2205-2208.
-
(1968)
Tetrahedron Lett
, vol.18
, pp. 2205-2208
-
-
Cherest, M.1
Felkin, H.2
-
43
-
-
0000071343
-
Nature of H-bonding in clusters, liquids, and enzymes: an ab initio, natural bond orbital perspective
-
Cherest M. Nature of H-bonding in clusters, liquids, and enzymes: an ab initio, natural bond orbital perspective. Tetrahedron, 1980, 36:1593-1598.
-
(1980)
Tetrahedron
, vol.36
, pp. 1593-1598
-
-
Cherest, M.1
-
44
-
-
0000640413
-
1,2-Asymmetric induction. Ab initio comparison of the Cram, Cornforth, Karabatsos, and Felkin models
-
Ahn NT, Eisenstein O. 1, 2-Asymmetric induction. Ab initio comparison of the Cram, Cornforth, Karabatsos, and Felkin models. Tetrahedron Lett 1976, 17:155-158.
-
(1976)
Tetrahedron Lett
, vol.17
, pp. 155-158
-
-
Ahn, N.T.1
Eisenstein, O.2
-
45
-
-
0001399730
-
Regio- and stereo-selectivities in some nucleophilic reactions
-
Ahn NT. Regio- and stereo-selectivities in some nucleophilic reactions Top Curr Chem 1980, 88:145-162.
-
(1980)
Top Curr Chem
, vol.88
, pp. 145-162
-
-
Ahn, N.T.1
-
46
-
-
34249297001
-
Substituted anilines: the tug-of-war between pyramidalization and resonance inside and outside of crystal cavities
-
Alabugin IV, Manoharan M, Buck M, Clark RJ. Substituted anilines: the tug-of-war between pyramidalization and resonance inside and outside of crystal cavities. J Mol Struct: Theochem 2007, 813:21-27.
-
(2007)
J Mol Struct: Theochem
, vol.813
, pp. 21-27
-
-
Alabugin, I.V.1
Manoharan, M.2
Buck, M.3
Clark, R.J.4
-
48
-
-
54849436537
-
Effect of hyperconjugation on ionization energies of hydroxyalkyl radicals
-
Karpichev B, Reisler H, Krylov AI, Diri K. Effect of hyperconjugation on ionization energies of hydroxyalkyl radicals. J Phys Chem A 2008, 112:9965-9969.
-
(2008)
J Phys Chem A
, vol.112
, pp. 9965-9969
-
-
Karpichev, B.1
Reisler, H.2
Krylov, A.I.3
Diri, K.4
-
49
-
-
36048935938
-
Radical hydrogen bonding: origin of stability of radical-molecule complexes
-
Hernández-Soto H, Weinhold F, Francisco JS. Radical hydrogen bonding: origin of stability of radical-molecule complexes. J Chem Phys 2007, 127:164102.
-
(2007)
J Chem Phys
, vol.127
, pp. 164102
-
-
Hernández-Soto, H.1
Weinhold, F.2
Francisco, J.S.3
-
50
-
-
67749088351
-
A hierarchy of homodesmotic reactions for thermochemistry
-
Wheeler SE, Houk KN, Schleyer PVR, Allen WD. A hierarchy of homodesmotic reactions for thermochemistry. J Am Chem Soc 2009, 131:2547-2560.
-
(2009)
J Am Chem Soc
, vol.131
, pp. 2547-2560
-
-
Wheeler, S.E.1
Houk, K.N.2
Schleyer, P.V.R.3
Allen, W.D.4
-
51
-
-
34748902875
-
The concept of protobranching and its many paradigm shifting implications for energy evaluations
-
Wodrich MD, Wannere CS, Mo Y, Jarowski PD, Houk KN, Schleyer PVR. The concept of protobranching and its many paradigm shifting implications for energy evaluations. Chem Eur J 2007, 13:7731-7744.
-
(2007)
Chem Eur J
, vol.13
, pp. 7731-7744
-
-
Wodrich, M.D.1
Wannere, C.S.2
Mo, Y.3
Jarowski, P.D.4
Houk, K.N.5
Schleyer, P.V.R.6
-
52
-
-
0141745664
-
The case for steric repulsion causing the staggered conformation of ethane
-
Bickelhaupt FM, Baerends EJ. The case for steric repulsion causing the staggered conformation of ethane. Angew Chem Int Ed Engl 2003, 42:4183-4188.
-
(2003)
Angew Chem Int Ed Engl
, vol.42
, pp. 4183-4188
-
-
Bickelhaupt, F.M.1
Baerends, E.J.2
-
53
-
-
20644440401
-
-
Cappel D, Tullmann S, Krapp A, Frenking G. Angew Chem Int Ed Engl 2005, 44:3617-3620.
-
(2005)
Angew Chem Int Ed Engl
, vol.44
, pp. 3617-3620
-
-
Cappel, D.1
Tullmann, S.2
Krapp, A.3
Frenking, G.4
-
54
-
-
33845871986
-
Direct estimate of the conjugative and hyperconjugative stabilization in diynes, dienes, and related compounds
-
Fernandez I, Frenking G. Direct estimate of the conjugative and hyperconjugative stabilization in diynes, dienes, and related compounds. Faraday Discuss 2007, 135:403-421.
-
(2007)
Faraday Discuss
, vol.135
, pp. 403-421
-
-
Fernandez, I.1
Frenking, G.2
-
55
-
-
33646188172
-
Direct estimate of the strength of conjugation and hyperconjugation by the energy decomposition analysis method
-
Fernandez I, Frenking G. Direct estimate of the strength of conjugation and hyperconjugation by the energy decomposition analysis method. Chem Eur J 2006, 12:3617-3629.
-
(2006)
Chem Eur J
, vol.12
, pp. 3617-3629
-
-
Fernandez, I.1
Frenking, G.2
-
56
-
-
3042782943
-
The magnitude of hyperconjugation in ethane: a perspective from ab initio valence bond theory
-
Mo Y, Wu W, Song L, Lin M, Zhang Q, et al. The magnitude of hyperconjugation in ethane: a perspective from ab initio valence bond theory. Angew Chem Int Ed Engl 2004, 43:1986-1990.
-
(2004)
Angew Chem Int Ed Engl
, vol.43
, pp. 1986-1990
-
-
Mo, Y.1
Wu, W.2
Song, L.3
Lin, M.4
Zhang, Q.5
-
57
-
-
0041841360
-
Some remarks on non-orthogonal orbitals in quantum chemistry
-
Weinhold F, Carpenter JE. Some remarks on non-orthogonal orbitals in quantum chemistry. J Mol Struct: Theochem 1988, 165:189-202.
-
(1988)
J Mol Struct: Theochem
, vol.165
, pp. 189-202
-
-
Weinhold, F.1
Carpenter, J.E.2
-
58
-
-
0039164835
-
Antisymmetrization effects in bond-orbital models of internal rotation barriers
-
Corcoran CT, Weinhold F. Antisymmetrization effects in bond-orbital models of internal rotation barriers. J Chem Phys 1980, 72:2866-2868.
-
(1980)
J Chem Phys
, vol.72
, pp. 2866-2868
-
-
Corcoran, C.T.1
Weinhold, F.2
-
59
-
-
0035978673
-
Chemistry: a new twist on molecular shape
-
Weinhold F. Chemistry: a new twist on molecular shape. Nature 2001, 411;539-540.
-
(2001)
Nature
, vol.411
, pp. 539-540
-
-
Weinhold, F.1
-
60
-
-
0141522603
-
Rebuttal to the Bickelhaupt-Baerends case for steric repulsion causing the staggered conformation of ethane
-
Weinhold F. Rebuttal to the Bickelhaupt-Baerends case for steric repulsion causing the staggered conformation of ethane. Angew Chem Int Ed Engl 2003, 42:4188-4194.
-
(2003)
Angew Chem Int Ed Engl
, vol.42
, pp. 4188-4194
-
-
Weinhold, F.1
-
61
-
-
84926111067
-
-
Weinhold F, Landis CR. London: Cambridge University Press;, Secs. 1.4 and 4.11. Available at: (Accessed October 10, 2010).
-
Weinhold F, Landis CR Valency and Bonding. London: Cambridge University Press; 2005, Secs. 1.4 and 4.11. Available at: http://www.chem.wisc.edu/~nbo5/tut_neda.htm. (Accessed October 10, 2010).
-
(2005)
Valency and Bonding
-
-
-
62
-
-
0035890870
-
Substituent effects on the physical properties and pKa of phenol
-
Gross KC, Seybold PG. Substituent effects on the physical properties and pKa of phenol. Int J Quantum Chem 2001, 85:569-579.
-
(2001)
Int J Quantum Chem
, vol.85
, pp. 569-579
-
-
Gross, K.C.1
Seybold, P.G.2
-
63
-
-
0000097150
-
-
Weinhold F, Schleyer PVR, eds. New York: John Wiley & Sons;
-
Weinhold F, Schleyer PVR, eds. Encyclopedia of Computational Chemistry. New York: John Wiley & Sons; 1998, 3, 1792.
-
(1998)
Encyclopedia of Computational Chemistry
, vol.3
, pp. 1792
-
-
-
64
-
-
36549103221
-
Natural localized molecular-orbitals
-
Reed AE, Weinhold F. Natural localized molecular-orbitals. J Chem Phys 1985, 83:1736-1740.
-
(1985)
J Chem Phys
, vol.83
, pp. 1736-1740
-
-
Reed, A.E.1
Weinhold, F.2
-
65
-
-
0037181391
-
Stereoelectronic effects and general trends in hyperconjugative acceptor ability of σ bonds
-
Alabugin IV, Zeidan TA. Stereoelectronic effects and general trends in hyperconjugative acceptor ability of σ bonds. J Am Chem Soc 2002, 124:3175-3185.
-
(2002)
J Am Chem Soc
, vol.124
, pp. 3175-3185
-
-
Alabugin, I.V.1
Zeidan, T.A.2
-
66
-
-
0000011954
-
Natural bond orbital analysis of steric interactions
-
Badenhoop JK, Weinhold F. Natural bond orbital analysis of steric interactions. J Chem Phys 1997, 107:5406-5422. Badenhoop JK, Weinhold F. Natural steric analysis of internal rotation barriers. Int J Quantum Chem 1999, 72:269-280.
-
(1999)
J Chem Phys 1997, 107:5406-5422. Natural steric analysis of internal rotation barriers. Int J Quantum Chem
, vol.72
, pp. 269-280
-
-
Badenhoop, J.K.1
Weinhold, F.2
Badenhoop, J.K.3
Weinhold, F.4
-
67
-
-
0001669185
-
Of atoms, mountains, and stars: a study in qualitative physics
-
Weisskopf VF. Of atoms, mountains, and stars: a study in qualitative physics. Science 1975, 187:605-612.
-
(1975)
Science
, vol.187
, pp. 605-612
-
-
Weisskopf, V.F.1
-
68
-
-
0034373424
-
Kohn-Sham density functional theory: predicting and understanding chemistry
-
Bickelhaupt FM, Baerends EJ, Evert J. Kohn-Sham density functional theory: predicting and understanding chemistry. Rev Comput Chem 2000, 15:1-86.
-
(2000)
Rev Comput Chem
, vol.15
, pp. 1-86
-
-
Bickelhaupt, F.M.1
Baerends, E.J.2
Evert, J.3
-
69
-
-
20644438873
-
Chemistry with ADF
-
TeVelde G, Bickelhaupt FM, Baerends EJ, van Gisbergen SJA, Snijders JG, et al. Chemistry with ADF. J Comput Chem 2001, 22:931-967.
-
(2001)
J Comput Chem
, vol.22
, pp. 931-967
-
-
TeVelde, G.1
Bickelhaupt, F.M.2
Baerends, E.J.3
van Gisbergen, S.J.A.4
Snijders, J.G.5
-
70
-
-
33751065104
-
On the calculation of bonding energies by the Hartree-Fock Slater method. I. The transition state method
-
Ziegler T, Rauk A. On the calculation of bonding energies by the Hartree-Fock Slater method. I. The transition state method. Theor Chim Acta 1977, 46:1-10.
-
(1977)
Theor Chim Acta
, vol.46
, pp. 1-10
-
-
Ziegler, T.1
Rauk, A.2
-
72
-
-
33646561500
-
Intramolecular electron transfer: computational study based on the orbital deletion procedure (ODP)
-
Mo Y. Intramolecular electron transfer: computational study based on the orbital deletion procedure (ODP). Curr Org Chem 2006, 10:779-790.
-
(2006)
Curr Org Chem
, vol.10
, pp. 779-790
-
-
Mo, Y.1
-
73
-
-
33947379737
-
Theoretical analysis of the rotational barrier of ethane
-
Mo Y, Gao J. Theoretical analysis of the rotational barrier of ethane. Acc Chem Res 2007, 40:113-119.
-
(2007)
Acc Chem Res
, vol.40
, pp. 113-119
-
-
Mo, Y.1
Gao, J.2
-
74
-
-
3042782943
-
The magnitude of hyperconjugation in ethane: a perspective from ab initio valence bond theory
-
Mo Y, Wu W, Song L, Lin M, Zhang Q, et al. The magnitude of hyperconjugation in ethane: a perspective from ab initio valence bond theory. Angew Chem Int Ed Engl 2004, 43:1986-1990.
-
(2004)
Angew Chem Int Ed Engl
, vol.43
, pp. 1986-1990
-
-
Mo, Y.1
Wu, W.2
Song, L.3
Lin, M.4
Zhang, Q.5
-
75
-
-
0000966560
-
Theoretical analysis of electronic delocalization
-
Mo Y, Peyerimhoff SD. Theoretical analysis of electronic delocalization. J Chem Phys 1998, 109:1687-1697.
-
(1998)
J Chem Phys
, vol.109
, pp. 1687-1697
-
-
Mo, Y.1
Peyerimhoff, S.D.2
-
76
-
-
0033597630
-
* negative hyperconjugation, pπ → dπ bonding, and stereoelectronic interaction
-
* negative hyperconjugation, pπ → dπ bonding, and stereoelectronic interaction. J Am Chem Soc 1999, 121:5737-5742.
-
(1999)
J Am Chem Soc
, vol.121
, pp. 5737-5742
-
-
Mo, Y.1
Zhang, Y.2
Gao, J.3
-
77
-
-
0000110457
-
Energy decomposition analysis of intermolecular interactions using a block-localized wave function approach
-
Mo Y, Gao J, Peyerimhoff SD. Energy decomposition analysis of intermolecular interactions using a block-localized wave function approach. J Chem Phys 2000, 112:5530-5538.
-
(2000)
J Chem Phys
, vol.112
, pp. 5530-5538
-
-
Mo, Y.1
Gao, J.2
Peyerimhoff, S.D.3
-
78
-
-
0036570218
-
Cation-π interactions: an energy decomposition analysis and its implication in δ-opioid receptor-ligand binding
-
Mo Y, Subramanian G, Ferguson DM, Gao J. Cation-π interactions: an energy decomposition analysis and its implication in δ-opioid receptor-ligand binding. J Am Chem Soc 2002, 124:4832-4837.
-
(2002)
J Am Chem Soc
, vol.124
, pp. 4832-4837
-
-
Mo, Y.1
Subramanian, G.2
Ferguson, D.M.3
Gao, J.4
-
80
-
-
0000142210
-
An ab initio molecular orbital-valence bond (MOVB) method for simulating chemical reactions in solution
-
Mo Y, Gao J. An ab initio molecular orbital-valence bond (MOVB) method for simulating chemical reactions in solution. J Phys Chem 2000, 104:3012-3020.
-
(2000)
J Phys Chem
, vol.104
, pp. 3012-3020
-
-
Mo, Y.1
Gao, J.2
-
81
-
-
0000342940
-
N2 reaction in water
-
N2 reaction in water. J Comput Chem 2000, 21:1458-1469.
-
(2000)
J Comput Chem
, vol.21
, pp. 1458-1469
-
-
Mo, Y.1
Gao, J.2
-
82
-
-
4043080456
-
Resonance effect in the allyl cation and anion: a revisit
-
Mo Y. Resonance effect in the allyl cation and anion: a revisit. J Org Chem 2004, 69:5563-5567.
-
(2004)
J Org Chem
, vol.69
, pp. 5563-5567
-
-
Mo, Y.1
-
83
-
-
0001220180
-
Strong or isovalent hyperconjugation in some alkyl radicals and their positive ions
-
Muller N, Mulliken RS. Strong or isovalent hyperconjugation in some alkyl radicals and their positive ions. J Am Chem Soc 1958, 80:3489-3497.
-
(1958)
J Am Chem Soc
, vol.80
, pp. 3489-3497
-
-
Muller, N.1
Mulliken, R.S.2
-
84
-
-
49249086740
-
Negative hyperconjugation of some fluorine containing groups
-
Exner O, Boehm S. Negative hyperconjugation of some fluorine containing groups. New J Chem 2008, 32:1449-1453.
-
(2008)
New J Chem
, vol.32
, pp. 1449-1453
-
-
Exner, O.1
Boehm, S.2
-
86
-
-
0344527830
-
Negative ion hyperconjugation in fluorocarbanions and the nature of the borderline between E1cB and E2 mechanisms. An ab initio study
-
Saunders WH Jr. Negative ion hyperconjugation in fluorocarbanions and the nature of the borderline between E1cB and E2 mechanisms. An ab initio study. J Org Chem 1999, 64:861-865.
-
(1999)
J Org Chem
, vol.64
, pp. 861-865
-
-
Saunders Jr., W.H.1
-
87
-
-
0001274118
-
Origin of the stability of carbon tetrafluoride: negative hyperconjugation reexamined
-
Wiberg KB, Rablen PR. Origin of the stability of carbon tetrafluoride: negative hyperconjugation reexamined. J Am Chem Soc 1993, 115:614-625.
-
(1993)
J Am Chem Soc
, vol.115
, pp. 614-625
-
-
Wiberg, K.B.1
Rablen, P.R.2
-
88
-
-
0000406044
-
Configuration determination of quinolizidine derivatives
-
Bohlmann F. Configuration determination of quinolizidine derivatives. Angew Chem 1957, 69:641-642.
-
(1957)
Angew Chem
, vol.69
, pp. 641-642
-
-
Bohlmann, F.1
-
89
-
-
0034803515
-
Stereoelectronic control in addition of nucleophiles to an amidinium ion
-
Perrin CL, Young DB. Stereoelectronic control in addition of nucleophiles to an amidinium ion. J Am Chem Soc 2001, 123:4451-4458.
-
(2001)
J Am Chem Soc
, vol.123
, pp. 4451-4458
-
-
Perrin, C.L.1
Young, D.B.2
-
90
-
-
0034809743
-
Is there stereoelectronic control in hydrolysis of cyclic guanidinium ions
-
Perrin CL, Young DB. Is there stereoelectronic control in hydrolysis of cyclic guanidinium ions? J Am Chem Soc 2001, 123:4446-4450.
-
(2001)
J Am Chem Soc
, vol.123
, pp. 4446-4450
-
-
Perrin, C.L.1
Young, D.B.2
-
91
-
-
0033612757
-
Absence of reverse anomeric effect in glycosylimidazoles
-
Perrin CL, Fabian MA, Brunckova J, Ohta BK. Absence of reverse anomeric effect in glycosylimidazoles. J Am Chem Soc 1999, 121:6911-6918.
-
(1999)
J Am Chem Soc
, vol.121
, pp. 6911-6918
-
-
Perrin, C.L.1
Fabian, M.A.2
Brunckova, J.3
Ohta, B.K.4
-
92
-
-
0034709417
-
Bifunctional catalysis and apparent stereoelectronic control in hydrolysis of cyclic imidatonium ions
-
Perrin CL, Engler RE, Young DB. Bifunctional catalysis and apparent stereoelectronic control in hydrolysis of cyclic imidatonium ions J Am Chem Soc 2000, 122:4877-4881.
-
(2000)
J Am Chem Soc
, vol.122
, pp. 4877-4881
-
-
Perrin, C.L.1
Engler, R.E.2
Young, D.B.3
-
93
-
-
2442477372
-
Hyperconjugation effect in substituted methyl boranes: an orbital deletion procedure analysis
-
Mo Y, Jiao H, Schleyer PVR. Hyperconjugation effect in substituted methyl boranes: an orbital deletion procedure analysis. J Org Chem 2004, 69:3493-3499.
-
(2004)
J Org Chem
, vol.69
, pp. 3493-3499
-
-
Mo, Y.1
Jiao, H.2
Schleyer, P.V.R.3
-
94
-
-
0035823266
-
100 years of carbocations and their significance in chemistry. Stable Carbocation Chemistry
-
Prakash S, Schleyer PVR, eds. New York: John Wiley & Sons;
-
Prakash S, Schleyer PVR, eds. Stable Carbocation Chemistry. New York: John Wiley & Sons; 1996. Olah GA. 100 years of carbocations and their significance in chemistry. J Org Chem 2001, 66:5943-5957.
-
(1996)
J Org Chem
, vol.66
, pp. 5943-5957
-
-
Olah, G.A.1
-
95
-
-
0348249203
-
Relative stabilities of carbonium ions in the gas phase and solution. Comparison of cyclic and acyclic alkylcarbonium ions, acyl cations and cyclic halonium ions
-
Wieting RD, Staley RH, Beauchamp JL. Relative stabilities of carbonium ions in the gas phase and solution. Comparison of cyclic and acyclic alkylcarbonium ions, acyl cations and cyclic halonium ions. J Am Chem Soc 1974, 96:7552-7554.
-
(1974)
J Am Chem Soc
, vol.96
, pp. 7552-7554
-
-
Wieting, R.D.1
Staley, R.H.2
Beauchamp, J.L.3
-
98
-
-
33845283182
-
Stabilization of positive charge by β-silicon
-
Lambert JB, Wang G, Finzel RB, Teramura DH. Stabilization of positive charge by β-silicon. J Am Chem Soc 1987, 109;7838-7845.
-
(1987)
J Am Chem Soc
, vol.109
, pp. 7838-7845
-
-
Lambert, J.B.1
Wang, G.2
Finzel, R.B.3
Teramura, D.H.4
-
99
-
-
2742569677
-
The interaction of silicon with positively charged carbon
-
Lambert JB. The interaction of silicon with positively charged carbon. Tetrahedron 1990, 46:2677-2689.
-
(1990)
Tetrahedron
, vol.46
, pp. 2677-2689
-
-
Lambert, J.B.1
-
100
-
-
0000602888
-
Interaction of the carbon-germanium or carbon-tin bond with positive charge on a β-carbon
-
Lambert JB, Wang G, Teramura DH. Interaction of the carbon-germanium or carbon-tin bond with positive charge on a β-carbon. J Org Chem 1988, 53:5422-5428.
-
(1988)
J Org Chem
, vol.53
, pp. 5422-5428
-
-
Lambert, J.B.1
Wang, G.2
Teramura, D.H.3
-
101
-
-
84987049594
-
Nucleophilic catalysis in deoxymercuration: the beta effect of mercury
-
Lambert JB, Emblidge RW. Nucleophilic catalysis in deoxymercuration: the beta effect of mercury. J Phys Org Chem 1993, 6:555-560.
-
(1993)
J Phys Org Chem
, vol.6
, pp. 555-560
-
-
Lambert, J.B.1
Emblidge, R.W.2
-
102
-
-
33749141140
-
Nucleophilic and electrophilic scales as the principles for classification of polar organic and organometallic reactions
-
Mayr H, Patz M. Nucleophilic and electrophilic scales as the principles for classification of polar organic and organometallic reactions. Angew Chem Int Ed Engl 1994, 33:938-955.
-
(1994)
Angew Chem Int Ed Engl
, vol.33
, pp. 938-955
-
-
Mayr, H.1
Patz, M.2
-
103
-
-
0001035426
-
Detection of hyperconjugative effects in experimentally determined structures of neutral molecules
-
Laube T, Ha TK. Detection of hyperconjugative effects in experimentally determined structures of neutral molecules. J Am Chem Soc 1988, 110:5511-5517.
-
(1988)
J Am Chem Soc
, vol.110
, pp. 5511-5517
-
-
Laube, T.1
Ha, T.K.2
-
105
-
-
9644254287
-
Implications of hyperconjugative effects on bond lengths of allylic systems. An NMO investigation
-
Bocca CC, Pontes RM, Basso EA. Implications of hyperconjugative effects on bond lengths of allylic systems. An NMO investigation. J Mol Struct: Theochem. 2004, 710:105-110.
-
(2004)
J Mol Struct: Theochem.
, vol.710
, pp. 105-110
-
-
Bocca, C.C.1
Pontes, R.M.2
Basso, E.A.3
-
106
-
-
33846606944
-
Rehybridization as a general mechanism for maximizing chemical and supramolecular bonding and a driving force for chemical reactions
-
Alabugin IV, Manoharan M. Rehybridization as a general mechanism for maximizing chemical and supramolecular bonding and a driving force for chemical reactions. J Comp Chem 2007, 28:373-390.
-
(2007)
J Comp Chem
, vol.28
, pp. 373-390
-
-
Alabugin, I.V.1
Manoharan, M.2
-
107
-
-
0034522217
-
Neutral hyperconjugation and one-bond couplings between heavy atoms
-
Lambert JB, Shawl CE, Basso E. Neutral hyperconjugation and one-bond couplings between heavy atoms. Can J Chem 2000, 78:1441-1444.
-
(2000)
Can J Chem
, vol.78
, pp. 1441-1444
-
-
Lambert, J.B.1
Shawl, C.E.2
Basso, E.3
-
108
-
-
0036680448
-
Optimized ladder C and ladder H models for sigma conjugation: chain segmentation in polysilanes
-
Schepers T, Michl J. Optimized ladder C and ladder H models for sigma conjugation: chain segmentation in polysilanes. J Phys Org Chem 2002, 15:490-498.
-
(2002)
J Phys Org Chem
, vol.15
, pp. 490-498
-
-
Schepers, T.1
Michl, J.2
-
109
-
-
0001715203
-
The interaction of π orbitals with a carbocation over three σ bonds
-
Lambert JB, Ciro SB. The interaction of π orbitals with a carbocation over three σ bonds. J Org Chem 1996, 61:1940-1945.
-
(1996)
J Org Chem
, vol.61
, pp. 1940-1945
-
-
Lambert, J.B.1
Ciro, S.B.2
-
110
-
-
0000682037
-
γ-Silicon stabilization of carbonium ions in solvolysis. 2. Solvolysis of 4-(trimethylsilyl)-2-butyl p-bromobenzenesulfonates
-
Shiner V Jr, Ensinger MW, Rutkowske RD. γ-Silicon stabilization of carbonium ions in solvolysis. 2. Solvolysis of 4-(trimethylsilyl)-2-butyl p-bromobenzenesulfonates. J Am Chem Soc 1987, 109:804-809.
-
(1987)
J Am Chem Soc
, vol.109
, pp. 804-809
-
-
Shiner Jr., V.1
Ensinger, M.W.2
Rutkowske, R.D.3
-
111
-
-
0001080716
-
Polar effects. Part 15. Twin γ -substituent effects in the formation of 1-adamantyl cations
-
Grob CA, Gruendel M, Sawlewicz P. Polar effects. Part 15. Twin γ -substituent effects in the formation of 1-adamantyl cations. Helv Chim Acta 1988, 71:1502-1507.
-
(1988)
Helv Chim Acta
, vol.71
, pp. 1502-1507
-
-
Grob, C.A.1
Gruendel, M.2
Sawlewicz, P.3
-
112
-
-
0001594813
-
Polar effects. Part 15. Twin γ -substituent effects in the formation of 1-adamantyl cations
-
Bentley TW, Kirmse W, Llewellyn G, Soellenboehmer F. Polar effects. Part 15. Twin γ -substituent effects in the formation of 1-adamantyl cations. J Org Chem 1990, 55:1536-1540.
-
(1990)
J Org Chem
, vol.55
, pp. 1536-1540
-
-
Bentley, T.W.1
Kirmse, W.2
Llewellyn, G.3
Soellenboehmer, F.4
-
113
-
-
0346742904
-
Deoxymetalation reactions. Concerted nature of 1,3-deoxystannylation
-
Davis DD, Black RH. Deoxymetalation reactions. Concerted nature of 1, 3-deoxystannylation. J Organomet Chem 1974, 82:C30-C34.
-
(1974)
J Organomet Chem
, vol.82
-
-
Davis, D.D.1
Black, R.H.2
-
116
-
-
33751554820
-
Evidence for 2-fold hyperconjugation in the solvolysis of 5-(trimethylsilyl) and 5-(trimethylstannyl)-2-adamantyl sulfonates
-
Adcock W, Coope J, Shiner VJ Jr, Trout NA. Evidence for 2-fold hyperconjugation in the solvolysis of 5-(trimethylsilyl) and 5-(trimethylstannyl)-2-adamantyl sulfonates. J Org Chem 1990, 55:1411-1412.
-
(1990)
J Org Chem
, vol.55
, pp. 1411-1412
-
-
Adcock, W.1
Coope, J.2
Shiner Jr., V.J.3
Trout, N.A.4
-
117
-
-
0025033734
-
3, M = silicon, germanium and tin)-substituted bicyclo[2.2.2]oct-1-yl p-nitrobenzenesulfonates and methanesulfonates
-
3, M = silicon, germanium and tin)-substituted bicyclo[2.2.2]oct-1-yl p-nitrobenzenesulfonates and methanesulfonates. J Am Chem Soc 1990, 112:3140-3145.
-
(1990)
J Am Chem Soc
, vol.112
, pp. 3140-3145
-
-
Adcock, W.1
Kristic, A.R.2
Duggan, P.J.3
Shiner Jr., V.J.4
Coope, J.5
-
118
-
-
10844269683
-
Effect of double hyperconjugation on the apparent donor ability of σ-bonds: insights from the relative stability of δ-substituted cyclohexyl cations
-
Alabugin IV, Manoharan M. Effect of double hyperconjugation on the apparent donor ability of σ-bonds: insights from the relative stability of δ-substituted cyclohexyl cations. J Org Chem 2004, 69:9011-9024.
-
(2004)
J Org Chem
, vol.69
, pp. 9011-9024
-
-
Alabugin, I.V.1
Manoharan, M.2
-
119
-
-
27944492731
-
Functionalized nanodiamonds. Part I. An experimental assessment of diamantane and computational predictions for higher diamondoids
-
Fokin AA, Tkachenko BA, Gunchenko PA, Gusev DV, Schreiner PR. Functionalized nanodiamonds. Part I. An experimental assessment of diamantane and computational predictions for higher diamondoids. Chem Eur J 2005, 11: 7091-7101.
-
(2005)
Chem Eur J
, vol.11
, pp. 7091-7101
-
-
Fokin, A.A.1
Tkachenko, B.A.2
Gunchenko, P.A.3
Gusev, D.V.4
Schreiner, P.R.5
-
120
-
-
0035978720
-
Hyperconjugation not steric repulsion leads to the staggered structure of ethane
-
Pophristic V, Goodman L. Hyperconjugation not steric repulsion leads to the staggered structure of ethane. Nature 2001, 411:565-568.
-
(2001)
Nature
, vol.411
, pp. 565-568
-
-
Pophristic, V.1
Goodman, L.2
-
121
-
-
0037020383
-
Teaching the right reasons: lessons from the mistaken origin of the rotational barrier in ethane
-
Schreiner PR. Teaching the right reasons: lessons from the mistaken origin of the rotational barrier in ethane. Angew Chem Int Ed Engl 2002, 41:3579-3581.
-
(2002)
Angew Chem Int Ed Engl
, vol.41
, pp. 3579-3581
-
-
Schreiner, P.R.1
-
122
-
-
0004293179
-
-
New York: Oxford University Press, Inc;
-
Kirby AJ. Stereoelectronic Effects. New York: Oxford University Press, Inc; 2000, 25-27.
-
(2000)
Stereoelectronic Effects
, pp. 25-27
-
-
Kirby, A.J.1
-
123
-
-
0037957336
-
The electronic basis of improper hydrogen bonding: a subtle balance of hyperconjugation and rehybridization
-
Alabugin IV, Manoharan M, Peabody S, Weinhold F. The electronic basis of improper hydrogen bonding: a subtle balance of hyperconjugation and rehybridization. J Am Chem Soc 2003, 125:5973-5987.
-
(2003)
J Am Chem Soc
, vol.125
, pp. 5973-5987
-
-
Alabugin, I.V.1
Manoharan, M.2
Peabody, S.3
Weinhold, F.4
-
124
-
-
33947491023
-
A survey of C-H groups as proton donors in hydrogen bonding
-
Allerhand A, Schleyer PVR. A survey of C-H groups as proton donors in hydrogen bonding. J Am Chem Soc 1963, 85:1715-1723.
-
(1963)
J Am Chem Soc
, vol.85
, pp. 1715-1723
-
-
Allerhand, A.1
Schleyer, P.V.R.2
-
125
-
-
2942585197
-
Blue-shifted and red-shifted hydrogen bonds in hypervalent rare-gas FRg-HY sandwiches
-
Alabugin IV, Manoharan M, Weinhold F. Blue-shifted and red-shifted hydrogen bonds in hypervalent rare-gas FRg-HY sandwiches. J Phys Chem A 2004, 10:4720-4730.
-
(2004)
J Phys Chem A
, vol.10
, pp. 4720-4730
-
-
Alabugin, I.V.1
Manoharan, M.2
Weinhold, F.3
-
126
-
-
33845552359
-
E2 reactions: emphasis on organotin compounds
-
E2 reactions: emphasis on organotin compounds. Acc Chem Res 1983, 16:177-184.
-
(1983)
Acc Chem Res
, vol.16
, pp. 177-184
-
-
Fukuto, J.M.1
Jensen, F.R.2
-
127
-
-
0347140247
-
NMR study of stereoelectronic anomeric and homoanomeric effects on the axial and equatorial CH bonds in 1,3-diazacyclohexanes and 1,5-diazabicyclo[3.2.1]octanes
-
Anderson JE, Cai J, Davies AG. NMR study of stereoelectronic anomeric and homoanomeric effects on the axial and equatorial CH bonds in 1, 3-diazacyclohexanes and 1, 5-diazabicyclo[3.2.1]octanes. J Chem Soc Perkin Trans 2 1997, 12:2633-2637.
-
(1997)
J Chem Soc Perkin Trans 2
, vol.12
, pp. 2633-2637
-
-
Anderson, J.E.1
Cai, J.2
Davies, A.G.3
-
129
-
-
0001071549
-
Molecular orbital theory of the electronic structure of molecules. 35. β -Substituent effects on the stabilities of ethyl and vinyl cations. Comparison with isoelectronic methyl boranes. The relative importance of hyperconjugative and inductive effects
-
Apeilog Y, Schleyer PVR, Pople JA. Molecular orbital theory of the electronic structure of molecules. 35. β -Substituent effects on the stabilities of ethyl and vinyl cations. Comparison with isoelectronic methyl boranes. The relative importance of hyperconjugative and inductive effects. J Am Chem Soc 1977, 99:5901-5909.
-
(1977)
J Am Chem Soc
, vol.99
, pp. 5901-5909
-
-
Apeilog, Y.1
Schleyer, P.V.R.2
Pople, J.A.3
-
130
-
-
33947479158
-
An appraisal of valence-bond structures and hybridization in compounds of the first-row elements
-
Bent HA. An appraisal of valence-bond structures and hybridization in compounds of the first-row elements. Chem Rev 1961, 61:275-311.
-
(1961)
Chem Rev
, vol.61
, pp. 275-311
-
-
Bent, H.A.1
-
131
-
-
0007447867
-
Gauging the donor ability of the C-Si bond. Results from low-temperature structural studies of gauche and antiperiplanar β -trimethylsilylcyclohexyl esters and ethers by use of the variable oxygen probe
-
Green AJ, Giordano J, White JM. Gauging the donor ability of the C-Si bond. Results from low-temperature structural studies of gauche and antiperiplanar β -trimethylsilylcyclohexyl esters and ethers by use of the variable oxygen probe. Aust J Chem 2000, 53:285-292.
-
(2000)
Aust J Chem
, vol.53
, pp. 285-292
-
-
Green, A.J.1
Giordano, J.2
White, J.M.3
-
132
-
-
53149096232
-
Stereoelectronic effects of Group IVA metal substituents in organic chemistry
-
White JM, Clark CI. Stereoelectronic effects of Group IVA metal substituents in organic chemistry. Top Stereochem 1999, 22:137-200.
-
(1999)
Top Stereochem
, vol.22
, pp. 137-200
-
-
White, J.M.1
Clark, C.I.2
-
133
-
-
0032900270
-
The β effect of silicon and related manifestations of σ conjugation
-
Lambert JB, Zhao Y, Emblidge RW, Salvador LA, Liu X, et al. The β effect of silicon and related manifestations of σ conjugation. Acc Chem Res 1999, 32:183-190.
-
(1999)
Acc Chem Res
, vol.32
, pp. 183-190
-
-
Lambert, J.B.1
Zhao, Y.2
Emblidge, R.W.3
Salvador, L.A.4
Liu, X.5
-
134
-
-
0000602888
-
Interaction of the carbon-germanium or carbon-tin bond with positive charge on a β carbon
-
Lambert JB, Wang GT, Teramura DH. Interaction of the carbon-germanium or carbon-tin bond with positive charge on a β carbon. J Org Chem 1988, 53:5422-5428.
-
(1988)
J Org Chem
, vol.53
, pp. 5422-5428
-
-
Lambert, J.B.1
Wang, G.T.2
Teramura, D.H.3
-
135
-
-
33845283182
-
Stabilization of positive charge by β -silicon
-
Lambert JB, Wang GT, Finzel RB, Teramura DH. Stabilization of positive charge by β -silicon. J Am Chem Soc 1987, 109:7838-7845.
-
(1987)
J Am Chem Soc
, vol.109
, pp. 7838-7845
-
-
Lambert, J.B.1
Wang, G.T.2
Finzel, R.B.3
Teramura, D.H.4
-
136
-
-
2742569677
-
The interaction of silicon with positively charged carbon
-
Lambert JB. The interaction of silicon with positively charged carbon. Tetrahedron 1990, 46:2677-2689.
-
(1990)
Tetrahedron
, vol.46
, pp. 2677-2689
-
-
Lambert, J.B.1
-
137
-
-
0342376007
-
Substituent effects of mono-, bis-, and tris(trimethylsilyl)-methyl groups; determination of σ and σ + constants
-
Cook MA, Eaborn C, Walton DRM. Substituent effects of mono-, bis-, and tris(trimethylsilyl)-methyl groups; determination of σ and σ + constants. J Organomet Chem 1970, 24:293-299.
-
(1970)
J Organomet Chem
, vol.24
, pp. 293-299
-
-
Cook, M.A.1
Eaborn, C.2
Walton, D.R.M.3
-
138
-
-
0141853190
-
Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative σ-donor ability of C-H and C-C bonds
-
Spiniello M, White JM. Low-temperature X-ray structural studies of the ester and ether derivatives of cis- and trans-4-tert-butyl cyclohexanol and 2-adamantanol: application of the variable oxygen probe to determine the relative σ-donor ability of C-H and C-C bonds. Org Biomol Chem 2003, 1:3094-3101.
-
(2003)
Org Biomol Chem
, vol.1
, pp. 3094-3101
-
-
Spiniello, M.1
White, J.M.2
-
139
-
-
0034733128
-
C-H Interactions, anomeric effect-what is really important
-
C-H Interactions, anomeric effect-what is really important? J Org Chem 2000, 65:3910-3919.
-
(2000)
J Org Chem
, vol.65
, pp. 3910-3919
-
-
Alabugin, I.V.1
-
140
-
-
0347025853
-
Is hyperconjugation responsible for the "gauche effect" in 1-fluoropropane and other 2-substituted-1-fluoroethanes
-
Rablen PR, Hoffmann RW, Hrovat DA, Borden WT. Is hyperconjugation responsible for the "gauche effect" in 1-fluoropropane and other 2-substituted-1-fluoroethanes? J Chem Soc Perkin Trans 2 1999, 8:1719-1726.
-
(1999)
J Chem Soc Perkin Trans 2
, vol.8
, pp. 1719-1726
-
-
Rablen, P.R.1
Hoffmann, R.W.2
Hrovat, D.A.3
Borden, W.T.4
-
141
-
-
20644440401
-
Direct estimate of the conjugative and hyperconjugative stabilization in diynes, dienes, and related compounds
-
Cappel D, Tullmann ST, Krapp A, Frenking G. Direct estimate of the conjugative and hyperconjugative stabilization in diynes, dienes, and related compounds. Angew Chem Int Ed Engl 2005, 44:3617-3620.
-
(2005)
Angew Chem Int Ed Engl
, vol.44
, pp. 3617-3620
-
-
Cappel, D.1
Tullmann, S.T.2
Krapp, A.3
Frenking, G.4
-
142
-
-
37049149934
-
Mechanism of aromatic side-chain reactions with special reference to the polar effects of substituents. V. The polar effects of alkyl groups
-
Baker JW, Nathan WS. Mechanism of aromatic side-chain reactions with special reference to the polar effects of substituents. V. The polar effects of alkyl groups. J Chem Soc 1935:1844-1847.
-
(1935)
J Chem Soc
, pp. 1844-1847
-
-
Baker, J.W.1
Nathan, W.S.2
-
143
-
-
84970601802
-
The Baker-Nathan order: hyperconjugation or a solvent effect
-
Cooney BT, Happer DAR. The Baker-Nathan order: hyperconjugation or a solvent effect? Aus J Chem 1987, 40:1537-1544.
-
(1987)
Aus J Chem
, vol.40
, pp. 1537-1544
-
-
Cooney, B.T.1
Happer, D.A.R.2
-
145
-
-
84983035977
-
The nature and analysis of substitutent electronic effects
-
Taft RW, Topsom RD. The nature and analysis of substitutent electronic effects. Prog Phys Org Chem 1987, 16:1-83.
-
(1987)
Prog Phys Org Chem
, vol.16
, pp. 1-83
-
-
Taft, R.W.1
Topsom, R.D.2
-
146
-
-
0342370439
-
Baker-Nathan effect, hyperconjugation and polarizability effects in isolated molecules
-
Exner O, Böhm S. Baker-Nathan effect, hyperconjugation and polarizability effects in isolated molecules. J Chem Soc 1997, 6:1235-1240.
-
(1997)
J Chem Soc
, vol.6
, pp. 1235-1240
-
-
Exner, O.1
Böhm, S.2
-
147
-
-
0001261240
-
Electronic control of stereoselectivities of electrocyclic reactions of cyclobutenes: a triumph of theory in the prediction of organic reactions
-
Dolbier WR Jr, Koroniak H, Houk KN, Sheu CC. Electronic control of stereoselectivities of electrocyclic reactions of cyclobutenes: a triumph of theory in the prediction of organic reactions. Acc Chem Res 1996, 29:471-477.
-
(1996)
Acc Chem Res
, vol.29
, pp. 471-477
-
-
Dolbier Jr., W.R.1
Koroniak, H.2
Houk, K.N.3
Sheu, C.C.4
-
148
-
-
33845470390
-
Stereoselective substituent effects on conrotatory electrocyclic reactions of cyclobutenes
-
Kirmse W, Rondan NG, Houk KN. Stereoselective substituent effects on conrotatory electrocyclic reactions of cyclobutenes. J Am Chem Soc 1984, 106:7989-1991.
-
(1984)
J Am Chem Soc
, vol.106
, pp. 7989-1991
-
-
Kirmse, W.1
Rondan, N.G.2
Houk, K.N.3
-
149
-
-
0001280856
-
Remarkable, contrasteric, electrocyclic ring opening of a cyclobutene
-
Dolbier WR Jr, Koroniak H, Burton DJ, Bailey AR, Shaw GS, et al. Remarkable, contrasteric, electrocyclic ring opening of a cyclobutene. J Am Chem Soc 1984, 106:1871-1872.
-
(1984)
J Am Chem Soc
, vol.106
, pp. 1871-1872
-
-
Dolbier Jr., W.R.1
Koroniak, H.2
Burton, D.J.3
Bailey, A.R.4
Shaw, G.S.5
-
150
-
-
33845281598
-
Kinetic and thermodynamic studies of the thermal electrocyclic interconversions of perfluorinated dienes and cyclobutenes
-
Dolbier WR Jr, Koroniak H, Burton DJ, Heinze PL, Baily AR, et al. Kinetic and thermodynamic studies of the thermal electrocyclic interconversions of perfluorinated dienes and cyclobutenes. J Am Chem Soc 1987, 109:219-225.
-
(1987)
J Am Chem Soc
, vol.109
, pp. 219-225
-
-
Dolbier Jr., W.R.1
Koroniak, H.2
Burton, D.J.3
Heinze, P.L.4
Baily, A.R.5
-
151
-
-
67749139813
-
The effect of alkynyl groups on torquoselectivity. Highly stereoselective olefination of alkynyl ketones with ynolates
-
Yoshikawa T, Mori S, Shindo M. The effect of alkynyl groups on torquoselectivity. Highly stereoselective olefination of alkynyl ketones with ynolates. J Am Chem Soc 2009, 131:2092-2093.
-
(2009)
J Am Chem Soc
, vol.131
, pp. 2092-2093
-
-
Yoshikawa, T.1
Mori, S.2
Shindo, M.3
-
152
-
-
33644525263
-
Torque control by metal-orbital interactions
-
Murakami M, Miyamoto Y, Hasegawa M, Usui I, Matsuda T. Torque control by metal-orbital interactions. Pure Appl Chem 2006, 78:415-423.
-
(2006)
Pure Appl Chem
, vol.78
, pp. 415-423
-
-
Murakami, M.1
Miyamoto, Y.2
Hasegawa, M.3
Usui, I.4
Matsuda, T.5
-
153
-
-
84877811981
-
Stabilizing effect of silicon by negative hyperconjugation
-
Masahiro M. Stabilizing effect of silicon by negative hyperconjugation. Organometallic News 2003, 2:46-49.
-
(2003)
Organometallic News
, vol.2
, pp. 46-49
-
-
Masahiro, M.1
-
154
-
-
33845556967
-
Stereochemistry of nucleophilic addition to cyclohexanone. The importance of two-electron stabilizing interactions
-
Cieplak AS. Stereochemistry of nucleophilic addition to cyclohexanone. The importance of two-electron stabilizing interactions. J Am Chem Soc 1981, 103:4540-4552.
-
(1981)
J Am Chem Soc
, vol.103
, pp. 4540-4552
-
-
Cieplak, A.S.1
-
155
-
-
33845183424
-
Reversal of π-facial diastereoselection upon electronegative substitution of the substrate and the reagent
-
Cieplak AS, Tait BD, Johnson CR. Reversal of π-facial diastereoselection upon electronegative substitution of the substrate and the reagent. J Am Chem Soc 1989, 111:8447-8462.
-
(1989)
J Am Chem Soc
, vol.111
, pp. 8447-8462
-
-
Cieplak, A.S.1
Tait, B.D.2
Johnson, C.R.3
-
156
-
-
49949128203
-
Torsional strain involving partial bonds. The stereochemistry of the lithium aluminum hydride reduction of some simple open-chain ketones
-
Cherest M, Felkin H, Prudent N. Torsional strain involving partial bonds. The stereochemistry of the lithium aluminum hydride reduction of some simple open-chain ketones. Tetrahedron Lett 1968, 18:2199-2204.
-
(1968)
Tetrahedron Lett
, vol.18
, pp. 2199-2204
-
-
Cherest, M.1
Felkin, H.2
Prudent, N.3
-
157
-
-
0001078912
-
Torsional strain involving partial bonds. The steric course of the reaction between allyl magnesium bromide and 4-tert-butylcyclohexanone
-
Cherest M, Felkin H. Torsional strain involving partial bonds. The steric course of the reaction between allyl magnesium bromide and 4-tert-butylcyclohexanone. Tetrahedron Lett 1968, 18:2205-2208.
-
(1968)
Tetrahedron Lett
, vol.18
, pp. 2205-2208
-
-
Cherest, M.1
Felkin, H.2
-
158
-
-
0000071343
-
The influence of torsion interactions on addition reactions of cyclohexanones. General interpretation of the steric course of the reaction of hydrides or organomagnesium compounds with cyclohexanones
-
Cherest M. The influence of torsion interactions on addition reactions of cyclohexanones. General interpretation of the steric course of the reaction of hydrides or organomagnesium compounds with cyclohexanones. Tetrahedron 1980, 36:1593-1598.
-
(1980)
Tetrahedron
, vol.36
, pp. 1593-1598
-
-
Cherest, M.1
-
159
-
-
0000640413
-
1,2-Asymmetric induction. Ab initio comparison of the Cram, Cornforth, Karabatsos, and Felkin models
-
Ahn NT, Eisenstein O. 1, 2-Asymmetric induction. Ab initio comparison of the Cram, Cornforth, Karabatsos, and Felkin models. Tetrahedron Lett 1976, 3:155-158.
-
(1976)
Tetrahedron Lett
, vol.3
, pp. 155-158
-
-
Ahn, N.T.1
Eisenstein, O.2
-
160
-
-
0001376012
-
Inductive and resonance effects of substituents on π-face selection
-
Cieplak AS. Inductive and resonance effects of substituents on π-face selection. Chem Rev 1999, 99:1265-1336.
-
(1999)
Chem Rev
, vol.99
, pp. 1265-1336
-
-
Cieplak, A.S.1
-
161
-
-
0001213599
-
Around and beyond Cram's Rule
-
Mengel A, Reiser O. Around and beyond Cram's Rule. Chem Rev 1999, 99:1191-1223.
-
(1999)
Chem Rev
, vol.99
, pp. 1191-1223
-
-
Mengel, A.1
Reiser, O.2
-
162
-
-
0000150775
-
Using perturbation and frontier molecular orbital theory to predict diastereofacial selectivity
-
Dannenberg JJ. Using perturbation and frontier molecular orbital theory to predict diastereofacial selectivity. Chem Rev 1999, 99:1225-1241.
-
(1999)
Chem Rev
, vol.99
, pp. 1225-1241
-
-
Dannenberg, J.J.1
-
163
-
-
0000094365
-
Structure distortions in heteroatom-substituted cyclohexanones, adamantanones, and adamantanes: origin of diastereofacial selectivity
-
Gung BW. Structure distortions in heteroatom-substituted cyclohexanones, adamantanones, and adamantanes: origin of diastereofacial selectivity. Chem Rev 1999, 99:1377-1386.
-
(1999)
Chem Rev
, vol.99
, pp. 1377-1386
-
-
Gung, B.W.1
-
164
-
-
0000152317
-
Face selection in addition and elimination in sterically unbiased systems
-
Kaselj M, Chung WS, Le Noble WJ. Face selection in addition and elimination in sterically unbiased systems. Chem Rev 1999, 99:1387-1413.
-
(1999)
Chem Rev
, vol.99
, pp. 1387-1413
-
-
Kaselj, M.1
Chung, W.S.2
Le Noble, W.J.3
-
165
-
-
0000263296
-
Nature of the electronic factor governing diastereofacial selectivity in some reactions of rigid saturated model substrates
-
Adcock W, Trout NA. Nature of the electronic factor governing diastereofacial selectivity in some reactions of rigid saturated model substrates. Chem Rev 1999, 99:1415-1435.
-
(1999)
Chem Rev
, vol.99
, pp. 1415-1435
-
-
Adcock, W.1
Trout, N.A.2
-
166
-
-
0000428270
-
Nucleophilic additions to 4,4-disubstituted 2,5-cyclohexadienones: Can dipole effects control facial selectivity
-
Wipf P, Jung JK. Nucleophilic additions to 4, 4-disubstituted 2, 5-cyclohexadienones: Can dipole effects control facial selectivity? Chem Rev 1999, 99:1469-1480.
-
(1999)
Chem Rev
, vol.99
, pp. 1469-1480
-
-
Wipf, P.1
Jung, J.K.2
-
167
-
-
0000745474
-
The exterior frontier orbital extension model
-
Tomoda S. The exterior frontier orbital extension model. Chem Rev 1999, 99:1243-1263.
-
(1999)
Chem Rev
, vol.99
, pp. 1243-1263
-
-
Tomoda, S.1
-
168
-
-
0001007915
-
Electronic control of facial selection in additions to sterically unbiased ketones and olefins
-
Mehta G, Chandrasekhar J. Electronic control of facial selection in additions to sterically unbiased ketones and olefins. J Chem Rev 1999, 99:1437-1467.
-
(1999)
J Chem Rev
, vol.99
, pp. 1437-1467
-
-
Mehta, G.1
Chandrasekhar, J.2
-
169
-
-
0001448958
-
Orbital-controlled stereoselections in sterically unbiased cyclic systems
-
Ohwada T. Orbital-controlled stereoselections in sterically unbiased cyclic systems. Chem Rev 1999, 99:1337.
-
(1999)
Chem Rev
, vol.99
, pp. 1337
-
-
Ohwada, T.1
-
170
-
-
84945628405
-
2 hyperfine coupling in cyclohexadienyl
-
2 hyperfine coupling in cyclohexadienyl. Mol Phys 1963, 6:223-224.
-
(1963)
Mol Phys
, vol.6
, pp. 223-224
-
-
Whiffen, D.H.1
-
171
-
-
0011212824
-
The Whiffen effect of symmetry-enhanced and symmetry-forbidden hyperconjugation in spin-paired molecules
-
Davies AG. The Whiffen effect of symmetry-enhanced and symmetry-forbidden hyperconjugation in spin-paired molecules. J Chem Soc Perkin Trans 2 1999, 11:2461-2467.
-
(1999)
J Chem Soc Perkin Trans 2
, vol.11
, pp. 2461-2467
-
-
Davies, A.G.1
-
172
-
-
0001445159
-
Homoaromatic structures
-
Winstein S. Homoaromatic structures. J Am Chem Soc 1959, 81:6524-6525.
-
(1959)
J Am Chem Soc
, vol.81
, pp. 6524-6525
-
-
Winstein, S.1
-
173
-
-
0010511965
-
Further comments on the lack of homoaromaticity in triquinacene
-
Holder A. Further comments on the lack of homoaromaticity in triquinacene. J Comput Chem 1993, 14:251.
-
(1993)
J Comput Chem
, vol.14
, pp. 251
-
-
Holder, A.1
-
174
-
-
0037144635
-
Homoaromaticity
-
Williams RV. Homoaromaticity. Chem Rev 2001, 101:1185-1204. Stahl F, Schleyer PVR, Jiao H, Schaefer HF III, Chen KH, et al. Resurrection of neutral tris-homoaromaticity. J Org Chem 2002, 67:6599-6611.
-
(2002)
Chem Rev 2001, 101:1185-1204. Resurrection of neutral tris-homoaromaticity. J Org Chem
, vol.67
, pp. 6599-6611
-
-
Williams, R.V.1
Stahl, F.2
Schleyer, P.V.R.3
Jiao, H.4
Schaefer III, H.F.5
Chen, K.H.6
-
175
-
-
0030834306
-
Annelated semibullvalenes: a theoretical study of how they "cope" with strain
-
Jiao H, Nagelkerke R, Kurtz HA, Williams V, Borden, WT, et al. Annelated semibullvalenes: a theoretical study of how they "cope" with strain. J Am Chem Soc 1997, 119:5921-5929.
-
(1997)
J Am Chem Soc
, vol.119
, pp. 5921-5929
-
-
Jiao, H.1
Nagelkerke, R.2
Kurtz, H.A.3
Williams, V.4
Borden, W.T.5
-
176
-
-
0037458964
-
A Study into the possible homoaromatic nature of some related carbene and cationic intermediates with the potential for transannular interaction
-
Freeman PK, Dacres JE A Study into the possible homoaromatic nature of some related carbene and cationic intermediates with the potential for transannular interaction. J Org Chem 2003, 68:1386-1393.
-
(2003)
J Org Chem
, vol.68
, pp. 1386-1393
-
-
Freeman, P.K.1
Dacres, J.E.2
-
177
-
-
0037012398
-
The search for bishomoaromatic semibullvalenes and barbaralanes: computational evidence of their identification by UV/Vis and IR spectroscopy and prediction of the existence of a blue bishomoaromatic semibullvalene
-
Goren AC, Hrovat DA, Seefelder M, Quast H, Borden WT. The search for bishomoaromatic semibullvalenes and barbaralanes: computational evidence of their identification by UV/Vis and IR spectroscopy and prediction of the existence of a blue bishomoaromatic semibullvalene. J Am Chem Soc 2002, 124:3469-3472.
-
(2002)
J Am Chem Soc
, vol.124
, pp. 3469-3472
-
-
Goren, A.C.1
Hrovat, D.A.2
Seefelder, M.3
Quast, H.4
Borden, W.T.5
-
178
-
-
33947328248
-
Benzynes, dehydroconjugated molecules, and the interaction of orbitals separated by a number of intervening sigma bonds
-
Hoffmann R, Imamura A, Hehre WJ. Benzynes, dehydroconjugated molecules, and the interaction of orbitals separated by a number of intervening sigma bonds. J Am Chem Soc 1968, 90:1499-1509.
-
(1968)
J Am Chem Soc
, vol.90
, pp. 1499-1509
-
-
Hoffmann, R.1
Imamura, A.2
Hehre, W.J.3
-
179
-
-
0008034716
-
Interaction of orbitals through-space and through-bonds
-
Hoffmann R. Interaction of orbitals through-space and through-bonds. Acc Chem Res 1971, 4:1-9.
-
(1971)
Acc Chem Res
, vol.4
, pp. 1-9
-
-
Hoffmann, R.1
-
180
-
-
33845553548
-
Some aspects of orbital interactions through bonds: physical and chemical consequences
-
Paddon-Row MN. Some aspects of orbital interactions through bonds: physical and chemical consequences. Acc Chem Res 1982, 15:245-251.
-
(1982)
Acc Chem Res
, vol.15
, pp. 245-251
-
-
Paddon-Row, M.N.1
-
182
-
-
0000707310
-
Orbital interactions through-space and through-sigma bonds
-
Brodskaya EI, Ratovskii GV, Voronkov MG. Orbital interactions through-space and through-sigma bonds. Usp Khim 1993, 62:975-990.
-
(1993)
Usp Khim
, vol.62
, pp. 975-990
-
-
Brodskaya, E.I.1
Ratovskii, G.V.2
Voronkov, M.G.3
-
183
-
-
0030859229
-
Through-bond orbital coupling, the parity rule, and the design of 'superbridges' which exhibit greatly enhanced electronic coupling: a natural bond orbital analysis
-
Paddon-Row MN, Shephard MJ. Through-bond orbital coupling, the parity rule, and the design of 'superbridges' which exhibit greatly enhanced electronic coupling: a natural bond orbital analysis. J Am Chem Soc 1997, 119:5355-5365.
-
(1997)
J Am Chem Soc
, vol.119
, pp. 5355-5365
-
-
Paddon-Row, M.N.1
Shephard, M.J.2
-
184
-
-
84981674301
-
Sigma-assistance; the modulation of intramolecular reactivity by through-bond interaction
-
Verhoeven JW. Sigma-assistance; the modulation of intramolecular reactivity by through-bond interaction. Recl Trav Chim Pays-Bas 1980, 99:369-379.
-
(1980)
Recl Trav Chim Pays-Bas
, vol.99
, pp. 369-379
-
-
Verhoeven, J.W.1
-
185
-
-
0037657968
-
Reactant destabilization in the Bergman cyclization and rational design of light and pH-activated enediynes
-
Alabugin IV, Manoharan M. Reactant destabilization in the Bergman cyclization and rational design of light and pH-activated enediynes. J Phys Chem A 2003, 107:3363-3371.
-
(2003)
J Phys Chem A
, vol.107
, pp. 3363-3371
-
-
Alabugin, I.V.1
Manoharan, M.2
-
186
-
-
0030005931
-
Ab initio calculation of hydrogen abstraction reactions of phenyl radical and p-benzyne
-
Logan CF, Chen P. Ab initio calculation of hydrogen abstraction reactions of phenyl radical and p-benzyne. J Am Chem Soc 1996, 118:2113-2114.
-
(1996)
J Am Chem Soc
, vol.118
, pp. 2113-2114
-
-
Logan, C.F.1
Chen, P.2
-
187
-
-
0029884874
-
9,10-Dehydroanthracene: p-benzyne-type biradicals abstract hydrogen unusually slowly
-
Schottelius MJ, Chen P. 9, 10-Dehydroanthracene: p-benzyne-type biradicals abstract hydrogen unusually slowly. J Am Chem Soc 1996, 118:4896-4903.
-
(1996)
J Am Chem Soc
, vol.118
, pp. 4896-4903
-
-
Schottelius, M.J.1
Chen, P.2
-
188
-
-
0034734315
-
Computer design of anticancer drugs. a new enediyne warhead
-
Kraka E, Cremer D. Computer design of anticancer drugs. a new enediyne warhead. J Am Chem Soc 2000, 122:8245-8264.
-
(2000)
J Am Chem Soc
, vol.122
, pp. 8245-8264
-
-
Kraka, E.1
Cremer, D.2
-
189
-
-
33644906397
-
Ortho effect in the Bergman cyclization: electronic and steric effects in hydrogen abstraction by 1-substituted naphthalene 5,8-diradicals
-
Pickard FC IV, Shepherd RL, Gillis AE, Dunn ME, Feldgus S, et al. Ortho effect in the Bergman cyclization: electronic and steric effects in hydrogen abstraction by 1-substituted naphthalene 5, 8-diradicals. J Phys Chem A 2006, 110:2517-2526.
-
(2006)
J Phys Chem A
, vol.110
, pp. 2517-2526
-
-
Pickard IV, F.C.1
Shepherd, R.L.2
Gillis, A.E.3
Dunn, M.E.4
Feldgus, S.5
-
190
-
-
0037448899
-
Radical-anionic C1-C5 and C1-C6 cyclizations of enediynes: remarkable substituent effects in cyclorearomatization reactions
-
Alabugin IV, Manoharan M. Radical-anionic C1-C5 and C1-C6 cyclizations of enediynes: remarkable substituent effects in cyclorearomatization reactions. J Am Chem Soc 2003, 125:4495-4509.
-
(2003)
J Am Chem Soc
, vol.125
, pp. 4495-4509
-
-
Alabugin, I.V.1
Manoharan, M.2
-
191
-
-
0000624732
-
Bond-function analysis of rotational barriers: ethane
-
Sovers OJ, Kern CW, Pitzer RM, Karplus M. Bond-function analysis of rotational barriers: ethane. J Chem Phys 1968, 49:2592-2599. Christiansen PA, Palke WE. A study of the ethane internal rotation barrier. Chem Phys Lett 1975, 31:462-466.
-
(1975)
J Chem Phys 1968, 49:2592-2599. A study of the ethane internal rotation barrier. Chem Phys Lett
, vol.31
, pp. 462-466
-
-
Sovers, O.J.1
Kern, C.W.2
Pitzer, R.M.3
Karplus, M.4
Christiansen, P.A.5
Palke, W.E.6
-
192
-
-
0001510404
-
Origin of rotation and inversion barriers
-
Bader RFW, Cheeseman JR, Laidig KE, Wiberg KB, Breneman C. Origin of rotation and inversion barriers. J Am Chem Soc 1990, 112:6530-6536.
-
(1990)
J Am Chem Soc
, vol.112
, pp. 6530-6536
-
-
Bader, R.F.W.1
Cheeseman, J.R.2
Laidig, K.E.3
Wiberg, K.B.4
Breneman, C.5
-
193
-
-
0000824361
-
Simple molecular orbital explanation for the barrier to internal rotation in ethane and other molecules
-
Lowe JP. Simple molecular orbital explanation for the barrier to internal rotation in ethane and other molecules. J Am Chem Soc 1970, 92:3799-3800.
-
(1970)
J Am Chem Soc
, vol.92
, pp. 3799-3800
-
-
Lowe, J.P.1
-
194
-
-
33845560514
-
Quantum mechanical studies on the origin of barriers to internal rotation about single bonds
-
Brunck TK, Weinhold F. Quantum mechanical studies on the origin of barriers to internal rotation about single bonds. J Am Chem Soc 1979, 101:1700-1709.
-
(1979)
J Am Chem Soc
, vol.101
, pp. 1700-1709
-
-
Brunck, T.K.1
Weinhold, F.2
-
196
-
-
0000717334
-
Intensities of electronic transition in molecular spectra. IV. Cyclic dienes and hyperconjugation
-
Mulliken RS. Intensities of electronic transition in molecular spectra. IV. Cyclic dienes and hyperconjugation. J Chem Phys 1939, 7:339-352.
-
(1939)
J Chem Phys
, vol.7
, pp. 339-352
-
-
Mulliken, R.S.1
-
197
-
-
0141745664
-
The case for steric repulsion causing the staggered conformation of ethane
-
Bickelhaupt FM, Baerends EJ. The case for steric repulsion causing the staggered conformation of ethane. Angew Chem Int Ed Engl 2003, 42:4183-4188.
-
(2003)
Angew Chem Int Ed Engl
, vol.42
, pp. 4183-4188
-
-
Bickelhaupt, F.M.1
Baerends, E.J.2
-
198
-
-
3042782943
-
The magnitude of hyperconjugation in ethane: a perspective from ab initio valance bond theory
-
Mo Y, Wu W, Song L, Lin M, Zhang Q, et al. The magnitude of hyperconjugation in ethane: a perspective from ab initio valance bond theory. Angew Chem Int Ed Engl 2004, 43:1986-1990.
-
(2004)
Angew Chem Int Ed Engl
, vol.43
, pp. 1986-1990
-
-
Mo, Y.1
Wu, W.2
Song, L.3
Lin, M.4
Zhang, Q.5
-
199
-
-
0141631465
-
The conjugation stabilization of 1,3-butadiyne is zero
-
Rogers DW, Matsunaga N, Zavitsas AA, McLafferty FJ, Liebman JF. The conjugation stabilization of 1, 3-butadiyne is zero. Org Lett 2003, 5:2373-2375.
-
(2003)
Org Lett
, vol.5
, pp. 2373-2375
-
-
Rogers, D.W.1
Matsunaga, N.2
Zavitsas, A.A.3
McLafferty, F.J.4
Liebman, J.F.5
-
200
-
-
5444234965
-
On the lack of conjugation stabilization in polyynes (polyacetylenes)
-
Rogers DW, Matsunaga N, McLafferty FJ, Zavitsas AA, Liebman JF. On the lack of conjugation stabilization in polyynes (polyacetylenes). J Org Chem 2004, 69:7143-7147.
-
(2004)
J Org Chem
, vol.69
, pp. 7143-7147
-
-
Rogers, D.W.1
Matsunaga, N.2
McLafferty, F.J.3
Zavitsas, A.A.4
Liebman, J.F.5
-
201
-
-
0001260843
-
Heats of organic reactions. IV. Hydrogenation of some dienes and of benzene
-
Kistiakowsky GG, Ruhoff JR, Smith HA, Vaughan WE. Heats of organic reactions. IV. Hydrogenation of some dienes and of benzene. J Am Chem Soc 1936, 58:146-153.
-
(1936)
J Am Chem Soc
, vol.58
, pp. 146-153
-
-
Kistiakowsky, G.G.1
Ruhoff, J.R.2
Smith, H.A.3
Vaughan, W.E.4
-
202
-
-
9344264061
-
How large is the conjugative stabilization of diynes
-
Jarowski PD, Wodrich MD, Wannere CS, Schleyer PVR, Houk KN. How large is the conjugative stabilization of diynes? J Am Chem Soc 2004, 126:15036-15037.
-
(2004)
J Am Chem Soc
, vol.126
, pp. 15036-15037
-
-
Jarowski, P.D.1
Wodrich, M.D.2
Wannere, C.S.3
Schleyer, P.V.R.4
Houk, K.N.5
-
203
-
-
66349107383
-
The folly of protobranching: turning repulsive interactions into attractive ones and rewriting the strain/stabilization energies of organic chemistry
-
Gronert S. The folly of protobranching: turning repulsive interactions into attractive ones and rewriting the strain/stabilization energies of organic chemistry. Chem Eur J 2009, 15:5372-5382.
-
(2009)
Chem Eur J
, vol.15
, pp. 5372-5382
-
-
Gronert, S.1
-
205
-
-
2442647567
-
Microwave spectra of molecules exhibiting internal rotation. I. Propylene
-
Lide DR Jr, Mann DE. Microwave spectra of molecules exhibiting internal rotation. I. Propylene. J Chem Phys 1957, 27:868-873.
-
(1957)
J Chem Phys
, vol.27
, pp. 868-873
-
-
Lide Jr., D.R.1
Mann, D.E.2
-
206
-
-
0042564584
-
Importance of σ-type hyperconjugation to the eclipsed structure of propylene
-
Lin BL, Xie Z, Liu R, Liu L, Guo QX. Importance of σ-type hyperconjugation to the eclipsed structure of propylene. J Mol Struct: Theochem 2003, 633:15-19.
-
(2003)
J Mol Struct: Theochem
, vol.633
, pp. 15-19
-
-
Lin, B.L.1
Xie, Z.2
Liu, R.3
Liu, L.4
Guo, Q.X.5
-
207
-
-
2142699615
-
Hyperconjugative interactions in vinylic systems: the problem of the barrier to methyl rotation in acetone
-
Jalbouta AF, Basso EA, Pontesc RM, Dasa D. Hyperconjugative interactions in vinylic systems: the problem of the barrier to methyl rotation in acetone. J Mol Struct: Theochem 2004, 677:167-171.
-
(2004)
J Mol Struct: Theochem
, vol.677
, pp. 167-171
-
-
Jalbouta, A.F.1
Basso, E.A.2
Pontesc, R.M.3
Dasa, D.4
-
208
-
-
0041508120
-
The role of hyperconjugation in the conformational analysis of methylcyclohexane and methylheterocyclohexanes
-
Ribeiro DS, Rittner R. The role of hyperconjugation in the conformational analysis of methylcyclohexane and methylheterocyclohexanes. J Org Chem 2003, 68:6780-6787.
-
(2003)
J Org Chem
, vol.68
, pp. 6780-6787
-
-
Ribeiro, D.S.1
Rittner, R.2
-
209
-
-
0037451431
-
Electronic and steric substituent influences on the conformational equilibria of cyclohexyl esters: the anomeric effect is not anomalous
-
Kleinpeter E, Taddai F, Wacher P. Electronic and steric substituent influences on the conformational equilibria of cyclohexyl esters: the anomeric effect is not anomalous! Chemistry. 2003, 9:1360-1368.
-
(2003)
Chemistry
, vol.9
, pp. 1360-1368
-
-
Kleinpeter, E.1
Taddai, F.2
Wacher, P.3
-
210
-
-
33744906505
-
3 substituents in trans-1,4-disubstituted cyclohexanes destabilize the diequatorial conformer
-
3 substituents in trans-1, 4-disubstituted cyclohexanes destabilize the diequatorial conformer. J Org Chem 2006 71:4393-4399.
-
(2006)
J Org Chem
, vol.71
, pp. 4393-4399
-
-
Kleinpeter, E.1
Rolla, N.2
Koch, A.3
Taddai, F.4
-
211
-
-
49349102107
-
Conjugation and hyperconjugation in conformational analysis of cyclohexene derivatives containing an exocyclic double bond
-
Shishkina SV, Shishkin OV, Desenko SM, Leszczynski J. Conjugation and hyperconjugation in conformational analysis of cyclohexene derivatives containing an exocyclic double bond. J Phys Chem A 2008, 112:7080-7089.
-
(2008)
J Phys Chem A
, vol.112
, pp. 7080-7089
-
-
Shishkina, S.V.1
Shishkin, O.V.2
Desenko, S.M.3
Leszczynski, J.4
-
212
-
-
53049107369
-
Stereoelectronic interaction and their effects on conformational preference for 2-substituted methylenecyclohexane: an experimental and theoretical investigation
-
Anizelli PR, Vilcachagua JD, Cunha NA, Tormena CF. Stereoelectronic interaction and their effects on conformational preference for 2-substituted methylenecyclohexane: an experimental and theoretical investigation. J Phys Chem A 2008, 112:8785-8789.
-
(2008)
J Phys Chem A
, vol.112
, pp. 8785-8789
-
-
Anizelli, P.R.1
Vilcachagua, J.D.2
Cunha, N.A.3
Tormena, C.F.4
-
213
-
-
0029891974
-
Axial and equatorial 1-methyl-1-cyclohexyl cation isomers both have chair conformations but differ in C-C and C-H hyperconjugation modes
-
Rauk A, Sorensen TS, Maerker C, Carneiro JW, Sieber S, et al. Axial and equatorial 1-methyl-1-cyclohexyl cation isomers both have chair conformations but differ in C-C and C-H hyperconjugation modes. J Am Chem Soc 1996, 118:3761-3762.
-
(1996)
J Am Chem Soc
, vol.118
, pp. 3761-3762
-
-
Rauk, A.1
Sorensen, T.S.2
Maerker, C.3
Carneiro, J.W.4
Sieber, S.5
-
214
-
-
0034742861
-
Tertiary cyclohexyl cations. Definitive evidence for the existence of isomeric structures (hyperconjomers)
-
Rauk A, Sorensen TS, Schleyer PVR. Tertiary cyclohexyl cations. Definitive evidence for the existence of isomeric structures (hyperconjomers). J Chem Soc Perkin Trans 2 2001, 6:869-874.
-
(2001)
J Chem Soc Perkin Trans 2
, vol.6
, pp. 869-874
-
-
Rauk, A.1
Sorensen, T.S.2
Schleyer, P.V.R.3
-
215
-
-
84936964332
-
Geometry and conformational properties of some five- and six-membered heterocyclic compounds containing oxygen or sulfur
-
Romers C, Altona C, Buys HR, Havinga E. Geometry and conformational properties of some five- and six-membered heterocyclic compounds containing oxygen or sulfur. Topics Stereochem 1969, 4:39-97.
-
(1969)
Topics Stereochem
, vol.4
, pp. 39-97
-
-
Romers, C.1
Altona, C.2
Buys, H.R.3
Havinga, E.4
-
216
-
-
0026736199
-
Recent studies of the anomeric effect
-
Juaristi E, Cuevas G. Recent studies of the anomeric effect. Tetrahedron 1992, 48:5019-5087.
-
(1992)
Tetrahedron
, vol.48
, pp. 5019-5087
-
-
Juaristi, E.1
Cuevas, G.2
-
217
-
-
84936964333
-
Anomeric effect: origin and consequences
-
Graczyk PP, Mikolajczyk M. Anomeric effect: origin and consequences. Top Stereochem 1994, 21:159-349.
-
(1994)
Top Stereochem
, vol.21
, pp. 159-349
-
-
Graczyk, P.P.1
Mikolajczyk, M.2
-
218
-
-
0028844812
-
The reverse anomeric effect: fact or fiction
-
Perrin CL. The reverse anomeric effect: fact or fiction? Tetrahedron 1995, 51:11901-11935.
-
(1995)
Tetrahedron
, vol.51
, pp. 11901-11935
-
-
Perrin, C.L.1
-
219
-
-
33947086456
-
Superjacent orbital control. Interpretation of the anomeric effect
-
David S, Eisenstein O, Hehre WJ, Salem L, Hoffmann R. Superjacent orbital control. Interpretation of the anomeric effect. J Am Chem Soc 1973, 95:3806-3807.
-
(1973)
J Am Chem Soc
, vol.95
, pp. 3806-3807
-
-
David, S.1
Eisenstein, O.2
Hehre, W.J.3
Salem, L.4
Hoffmann, R.5
-
220
-
-
33947091734
-
Gauche effect. Stereochemical consequences of adjacent electron pairs and polar bonds
-
Wolfe S. Gauche effect. Stereochemical consequences of adjacent electron pairs and polar bonds. Acc Chem Res 1972, 5:102-111.
-
(1972)
Acc Chem Res
, vol.5
, pp. 102-111
-
-
Wolfe, S.1
-
222
-
-
33748440980
-
Ab initio molecular orbital calculation of carbohydrate model compounds. 5. Anomeric, exo-anomeric, and reverse anomeric effects in C-, N-, and S-glycosyl compounds
-
Tvaroska I, Carver JP. Ab initio molecular orbital calculation of carbohydrate model compounds. 5. Anomeric, exo-anomeric, and reverse anomeric effects in C-, N-, and S-glycosyl compounds. J Phys Chem 1996, 100:11305-11313.
-
(1996)
J Phys Chem
, vol.100
, pp. 11305-11313
-
-
Tvaroska, I.1
Carver, J.P.2
-
223
-
-
0031789009
-
The 1,3,5,7-tetraazadecalins: structure, conformation, and stereoelectronics. Theory vs. experiment
-
Reany O, Goldberg I, Abramson S, Golender L, Ganguly, et al. The 1, 3, 5, 7-tetraazadecalins: structure, conformation, and stereoelectronics. Theory vs. experiment. J Org Chem 1998, 63:8850-8859.
-
(1998)
J Org Chem
, vol.63
, pp. 8850-8859
-
-
Reany, O.1
Goldberg, I.2
Abramson, S.3
Golender, L.4
Ganguly5
-
224
-
-
0030829951
-
Conformations of azacyclodeca-3,8-diynes and 1,6-diazacyclodeca-3,8-diynes and the generalized anomeric effect: a test for current conformational models for azaheterocycles
-
Ritter J, Gleiter R, Irngartinger H, Oeser T. Conformations of azacyclodeca-3, 8-diynes and 1, 6-diazacyclodeca-3, 8-diynes and the generalized anomeric effect: a test for current conformational models for azaheterocycles. J Am Chem Soc 1997, 119:10599-10607.
-
(1997)
J Am Chem Soc
, vol.119
, pp. 10599-10607
-
-
Ritter, J.1
Gleiter, R.2
Irngartinger, H.3
Oeser, T.4
-
225
-
-
0347140247
-
NMR study of stereoelectronic anomeric and homoanomeric effects on the axial and equatorial C-H bonds in 1,3-diazacyclohexanes and 1,5-diazabicyclo[3.2.1]octanes
-
Anderson JE, Cai J, Davies AG. NMR study of stereoelectronic anomeric and homoanomeric effects on the axial and equatorial C-H bonds in 1, 3-diazacyclohexanes and 1, 5-diazabicyclo[3.2.1]octanes. J Chem Soc Perkin Trans 2 1997, 12:2633-2637.
-
(1997)
J Chem Soc Perkin Trans 2
, vol.12
, pp. 2633-2637
-
-
Anderson, J.E.1
Cai, J.2
Davies, A.G.3
-
226
-
-
0030765592
-
13C spin-coupling constants in methyl β-D-ribofuranoside and methyl 2-deoxy-β-D-erythro-pentofuranoside: correlations with molecular structure and conformation
-
13C spin-coupling constants in methyl β-D-ribofuranoside and methyl 2-deoxy-β-D-erythro-pentofuranoside: correlations with molecular structure and conformation. J Am Chem Soc 1997, 119:8946-8964.
-
(1997)
J Am Chem Soc
, vol.119
, pp. 8946-8964
-
-
Church, T.J.1
Carmichael, I.2
Serianni, A.S.3
-
227
-
-
0028889724
-
Carbon-proton coupling constants in the conformational analysis of sugar molecules
-
Tvaroska I, Taravel FR. Carbon-proton coupling constants in the conformational analysis of sugar molecules. Adv Carbohyd Chem 1995, 51:15-61.
-
(1995)
Adv Carbohyd Chem
, vol.51
, pp. 15-61
-
-
Tvaroska, I.1
Taravel, F.R.2
-
228
-
-
0006480793
-
3 hybridized carbon atom. Part 1. The exo-anomeric effect in 3-methoxy-1,2,4,5-tetroxane
-
3 hybridized carbon atom. Part 1. The exo-anomeric effect in 3-methoxy-1, 2, 4, 5-tetroxane. J Mol Struct: Theochem 1995, 338:25-30.
-
(1995)
J Mol Struct: Theochem
, vol.338
, pp. 25-30
-
-
Peruchena, N.M.1
Contreras, R.H.2
-
229
-
-
0032062082
-
Heteronuclear correlation experiments for the determination of one-bond coupling constants
-
Andersson P, Nordstrand K, Sunnerhagen M, Liepinsh E, Turovskis I, et al. Heteronuclear correlation experiments for the determination of one-bond coupling constants. J Biomol NMR 1998, 11:445-450.
-
(1998)
J Biomol NMR
, vol.11
, pp. 445-450
-
-
Andersson, P.1
Nordstrand, K.2
Sunnerhagen, M.3
Liepinsh, E.4
Turovskis, I.5
-
230
-
-
0035967761
-
1JC1-H1 magnitudes to anomeric stereochemistry in 2,3-anhydro-O-furanosides
-
1JC1-H1 magnitudes to anomeric stereochemistry in 2, 3-anhydro-O-furanosides. J Org Chem 2001, 66:4549-4558.
-
(2001)
J Org Chem
, vol.66
, pp. 4549-4558
-
-
Callam, C.S.1
Gadikota, R.R.2
Lowary, T.L.3
-
231
-
-
0035925131
-
13C NMR spectroscopy and computational studies
-
13C NMR spectroscopy and computational studies. J Am Chem Soc 2001, 123:1327-1336.
-
(2001)
J Am Chem Soc
, vol.123
, pp. 1327-1336
-
-
Lewis, B.E.1
Schramm, V.L.2
-
233
-
-
0001642471
-
Ring enlargement by rearrangement of the 1,2-aminochloroalkyl group; rearrangement of 1-ethyl-2-(chloromethyl)pyrrolidine to 1-ethyl-3-chloropiperidine
-
Fuson RC, Zirkle CL. Ring enlargement by rearrangement of the 1, 2-aminochloroalkyl group; rearrangement of 1-ethyl-2-(chloromethyl)pyrrolidine to 1-ethyl-3-chloropiperidine. J Am Chem Soc 1948, 70:2760-2762.
-
(1948)
J Am Chem Soc
, vol.70
, pp. 2760-2762
-
-
Fuson, R.C.1
Zirkle, C.L.2
-
234
-
-
0001387964
-
Novel rearrangement of a piperidine ring
-
Reitsema RH. Novel rearrangement of a piperidine ring. J Am Chem Soc 1949, 71:2041-2043.
-
(1949)
J Am Chem Soc
, vol.71
, pp. 2041-2043
-
-
Reitsema, R.H.1
-
235
-
-
0001192078
-
Reactions of β -substituted amines. II. Nucleophilic displacement reactions on 3-chloro-1-ethylpiperidine
-
Hammer CF, Heller SR, Craig JH. Reactions of β -substituted amines. II. Nucleophilic displacement reactions on 3-chloro-1-ethylpiperidine. Tetrahedron 1972, 35:239-253.
-
(1972)
Tetrahedron
, vol.35
, pp. 239-253
-
-
Hammer, C.F.1
Heller, S.R.2
Craig, J.H.3
-
236
-
-
0035132911
-
Diastereocontrolled synthesis of enantiopure 5-allylprolinols
-
Sakagami H, Ogasawara K. Diastereocontrolled synthesis of enantiopure 5-allylprolinols. Synlett 2001, 1:45-48.
-
(2001)
Synlett
, vol.1
, pp. 45-48
-
-
Sakagami, H.1
Ogasawara, K.2
-
237
-
-
0347968952
-
Epoxide migrations with α,β-epoxy alcohols
-
Payne GB. Epoxide migrations with α, β-epoxy alcohols. J Org Chem 1962, 27:3819-3822.
-
(1962)
J Org Chem
, vol.27
, pp. 3819-3822
-
-
Payne, G.B.1
-
238
-
-
0038475226
-
Epoxide migration (Payne rearrangement) and related reactions
-
Hanson RM. Epoxide migration (Payne rearrangement) and related reactions. Org React 2002, 60:1-156.
-
(2002)
Org React
, vol.60
, pp. 1-156
-
-
Hanson, R.M.1
-
239
-
-
0032365573
-
The aza-Payne rearrangement: a synthetically valuable equilibration
-
Ibuka T. The aza-Payne rearrangement: a synthetically valuable equilibration. Chem Soc Rev 1998, 27:145-154.
-
(1998)
Chem Soc Rev
, vol.27
, pp. 145-154
-
-
Ibuka, T.1
-
240
-
-
37049075760
-
One-bond carbon-hydrogen NMR coupling constants in 1,2,4-trioxanes: a reversed Perlin effect
-
Anderson JE, Bloodworth AJ, Cai JQ, Davies AG, Tallant NA. One-bond carbon-hydrogen NMR coupling constants in 1, 2, 4-trioxanes: a reversed Perlin effect. J Chem Soc Chem Commun 1992, 22:1689-1691.
-
(1992)
J Chem Soc Chem Commun
, vol.22
, pp. 1689-1691
-
-
Anderson, J.E.1
Bloodworth, A.J.2
Cai, J.Q.3
Davies, A.G.4
Tallant, N.A.5
-
241
-
-
37049078052
-
An NMR and ab initio MO study of the effect of β-oxygens in 1,3-dioxanes
-
Anderson JE, Bloodworth AJ, Cai JQ, Davies AG, Schiesser CH. An NMR and ab initio MO study of the effect of β-oxygens in 1, 3-dioxanes. J Chem Soc Perkin Trans 2 1993, 4:601-602.
-
(1993)
J Chem Soc Perkin Trans 2
, vol.4
, pp. 601-602
-
-
Anderson, J.E.1
Bloodworth, A.J.2
Cai, J.Q.3
Davies, A.G.4
Schiesser, C.H.5
-
242
-
-
0346137948
-
NMR parameters for 1,3-dioxanes: evidence for a homoanomeric interaction
-
Cai JQ, Davies AG, Schiesser CH. NMR parameters for 1, 3-dioxanes: evidence for a homoanomeric interaction. J Chem Soc Perkin Trans 2 1994, 6:1151-1156.
-
(1994)
J Chem Soc Perkin Trans 2
, vol.6
, pp. 1151-1156
-
-
Cai, J.Q.1
Davies, A.G.2
Schiesser, C.H.3
-
243
-
-
0003673319
-
-
New York: Oxford University Press;
-
Scheiner S. Hydrogen Bonding. New York: Oxford University Press; 1997.
-
(1997)
Hydrogen Bonding
-
-
Scheiner, S.1
-
246
-
-
0034317323
-
Blue-shifting hydrogen bonds
-
Hobza P, Havlas Z. Blue-shifting hydrogen bonds. Chem Rev 2000, 100:4253-4264.
-
(2000)
Chem Rev
, vol.100
, pp. 4253-4264
-
-
Hobza, P.1
Havlas, Z.2
-
247
-
-
0001008880
-
Sharing of electrons in molecules: characterization of hydrogen bonds
-
Fulton RL, Perhacs P. Sharing of electrons in molecules: characterization of hydrogen bonds. J Phys Chem 1998, 102:9001-9020.
-
(1998)
J Phys Chem
, vol.102
, pp. 9001-9020
-
-
Fulton, R.L.1
Perhacs, P.2
-
248
-
-
0032804830
-
The nature of the hydrogen bond in DNA base pairs: the role of charge transfer and resonance assistance
-
Guerra CF, Bickelhaupt FM, Snijders JG, Baerends EJ. The nature of the hydrogen bond in DNA base pairs: the role of charge transfer and resonance assistance. Chem Eur J 1999, 5:3581-3594.
-
(1999)
Chem Eur J
, vol.5
, pp. 3581-3594
-
-
Guerra, C.F.1
Bickelhaupt, F.M.2
Snijders, J.G.3
Baerends, E.J.4
-
249
-
-
33645671083
-
Supramolecular switches based on the guanine-cytosine (GC) Watson-Crick pair: effect of neutral and ionic substituents
-
Guerra CF, van der Wijst T, Bickelhaupt FM. Supramolecular switches based on the guanine-cytosine (GC) Watson-Crick pair: effect of neutral and ionic substituents. Chem Eur J 2006, 12:3032-3042.
-
(2006)
Chem Eur J
, vol.12
, pp. 3032-3042
-
-
Guerra, C.F.1
van der Wijst, T.2
Bickelhaupt, F.M.3
-
250
-
-
33748435748
-
Orbital interactions and charge redistribution in weak hydrogen bonds: Watson-Crick GC mimic involving C-H proton donors and F proton acceptor groups
-
Guerra CF, Baerends EJ, Bickelhaupt FM. Orbital interactions and charge redistribution in weak hydrogen bonds: Watson-Crick GC mimic involving C-H proton donors and F proton acceptor groups. Int J Quantum Chem 2006, 106:2428-2443.
-
(2006)
Int J Quantum Chem
, vol.106
, pp. 2428-2443
-
-
Guerra, C.F.1
Baerends, E.J.2
Bickelhaupt, F.M.3
-
251
-
-
33947091734
-
Gauche effect. Stereochemical consequences of adjacent electron pairs and polar bonds
-
Wolfe S. Gauche effect. Stereochemical consequences of adjacent electron pairs and polar bonds. Acc Chem Res 1972, 5:102-111.
-
(1972)
Acc Chem Res
, vol.5
, pp. 102-111
-
-
Wolfe, S.1
-
252
-
-
14544303540
-
Gauche effect in 1,2-difluoroethane. Hyperconjugation, bent bonds, steric repulsion
-
Goodman L, Gu H, Pophristic V. Gauche effect in 1, 2-difluoroethane. Hyperconjugation, bent bonds, steric repulsion. J Phys Chem A 2005, 109:1223-1229.
-
(2005)
J Phys Chem A
, vol.109
, pp. 1223-1229
-
-
Goodman, L.1
Gu, H.2
Pophristic, V.3
-
253
-
-
76749091475
-
A DFT study on the origin of the fluorine gauche effect in substituted fluoroethanes
-
Buissonneaud DY, van Mourik T, O'Hagan D. A DFT study on the origin of the fluorine gauche effect in substituted fluoroethanes. Tetrahedron 2010, 66:2196-2202.
-
(2010)
Tetrahedron
, vol.66
, pp. 2196-2202
-
-
Buissonneaud, D.Y.1
van Mourik, T.2
O'Hagan, D.3
-
254
-
-
25144510381
-
The vicinal F-C-C-F moiety as a tool for influencing peptide conformation
-
Schuler M, O'hagan D, Slawin AMZ. The vicinal F-C-C-F moiety as a tool for influencing peptide conformation. Chem Commun (Camb) 2005, 34:4324-4326.
-
(2005)
Chem Commun (Camb)
, vol.34
, pp. 4324-4326
-
-
Schuler, M.1
O'hagan, D.2
Slawin, A.M.Z.3
-
255
-
-
0037161862
-
The fluorine gauche effect. Langmuir isotherms report the relative conformational stability of (+/-)-erythro- and (+/-)-threo-9,10-difluorostearic acids
-
Tavasli M, O'hagan D, Pearson C, Petty MC. The fluorine gauche effect. Langmuir isotherms report the relative conformational stability of (+/-)-erythro- and (+/-)-threo-9, 10-difluorostearic acids. Chem Commun (Camb) 2002, 11:1226-1227.
-
(2002)
Chem Commun (Camb)
, vol.11
, pp. 1226-1227
-
-
Tavasli, M.1
O'hagan, D.2
Pearson, C.3
Petty, M.C.4
-
256
-
-
0345761619
-
Solid state and theoretical evaluation of β-fluoroethyl esters indicate a fluorine-ester gauche effect
-
Briggs CRS, O'hagan D, Rzepa HS, Slawin AMZ. Solid state and theoretical evaluation of β-fluoroethyl esters indicate a fluorine-ester gauche effect. J Fluorine Chem 2004, 125:19-25.
-
(2004)
J Fluorine Chem
, vol.125
, pp. 19-25
-
-
Briggs, C.R.S.1
O'hagan, D.2
Rzepa, H.S.3
Slawin, A.M.Z.4
-
257
-
-
33845959969
-
Enantioselective synthesis of an all-syn four vicinal fluorine motif
-
Hunter L, O'hagan D, Slawin AMZ Enantioselective synthesis of an all-syn four vicinal fluorine motif. J Am Chem Soc 2006, 128:16422-16423.
-
(2006)
J Am Chem Soc
, vol.128
, pp. 16422-16423
-
-
Hunter, L.1
O'hagan, D.2
Slawin, A.M.Z.3
-
258
-
-
50249100289
-
In search of efficient 5-endo-dig cyclization of a carbon-centered radical: 40 years from a prediction to another success for the Baldwin rules
-
Alabugin IV, Timokhin VI, Abrams JN, Manoharan M, Ghiviriga I, Abrams R. In search of efficient 5-endo-dig cyclization of a carbon-centered radical: 40 years from a prediction to another success for the Baldwin rules. J Am Chem Soc 2008, 30:10984-10995.
-
(2008)
J Am Chem Soc
, vol.30
, pp. 10984-10995
-
-
Alabugin, I.V.1
Timokhin, V.I.2
Abrams, J.N.3
Manoharan, M.4
Ghiviriga, I.5
Abrams, R.6
-
259
-
-
47649083962
-
On the stereoelectronic effects governing the rotational isomerism of 1,2-dihaloethanes
-
Souza FR, Freitas MP, Rittner R. On the stereoelectronic effects governing the rotational isomerism of 1, 2-dihaloethanes. J Mol Struct: Theochem 2008, 863:137-140.
-
(2008)
J Mol Struct: Theochem
, vol.863
, pp. 137-140
-
-
Souza, F.R.1
Freitas, M.P.2
Rittner, R.3
-
261
-
-
33947290639
-
Thermodynamics of cis--trans isomerizations. II. 1-Chloro-2-fluoroethylenes, 1,2-difluorocyclopropanes, and related molecules
-
Craig NC, Piper LG, Wheeler VL. Thermodynamics of cis--trans isomerizations. II. 1-Chloro-2-fluoroethylenes, 1, 2-difluorocyclopropanes, and related molecules. J Phys Chem 1971, 75:1453-1460.
-
(1971)
J Phys Chem
, vol.75
, pp. 1453-1460
-
-
Craig, N.C.1
Piper, L.G.2
Wheeler, V.L.3
-
262
-
-
0000264260
-
Bent bonds in organic compounds
-
Wiberg WB. Bent bonds in organic compounds. Acc Chem Res 1996, 29:229-234.
-
(1996)
Acc Chem Res
, vol.29
, pp. 229-234
-
-
Wiberg, W.B.1
-
263
-
-
0031592403
-
On the origin of the gauche effect. A quantum chemical study of 1,2-difluoroethane
-
Engkvist O, Karlstrom G, Widmark PO. On the origin of the gauche effect. A quantum chemical study of 1, 2-difluoroethane. Chem Phys Lett 1997, 265:19-23.
-
(1997)
Chem Phys Lett
, vol.265
, pp. 19-23
-
-
Engkvist, O.1
Karlstrom, G.2
Widmark, P.O.3
-
264
-
-
0000767292
-
On the origin of cis-effect in 1,2-difluoroethene
-
Yamamoto T, Tomoda S. On the origin of cis-effect in 1, 2-difluoroethene. Chem Lett 1997, 10:1069-1070.
-
(1997)
Chem Lett
, vol.10
, pp. 1069-1070
-
-
Yamamoto, T.1
Tomoda, S.2
-
265
-
-
0034637351
-
Chlorofluoroethenes. Thermochemical stability and cis-effect
-
Novak I. Chlorofluoroethenes. Thermochemical stability and cis-effect. J Org Chem 2000, 65:5057-5058.
-
(2000)
J Org Chem
, vol.65
, pp. 5057-5058
-
-
Novak, I.1
-
266
-
-
84962396727
-
Origin of the cis effect-nonbonded intramolecular interactions: quantum chemical studies on 1,2-dihaloethylene molecules
-
Kanakaraju K, Senthilkumar K, Kolandaivel P. Origin of the cis effect-nonbonded intramolecular interactions: quantum chemical studies on 1, 2-dihaloethylene molecules. J Mol Struct: Theochem 2002, 589-590:95-102.
-
(2002)
J Mol Struct: Theochem
, vol.589-590
, pp. 95-102
-
-
Kanakaraju, K.1
Senthilkumar, K.2
Kolandaivel, P.3
-
267
-
-
26844571340
-
The importance of lone pair electron delocalization in the cis-trans isomers of 1,2-dibromoethenes
-
Yamamoto T, Kaneno D, Tomoda S. The importance of lone pair electron delocalization in the cis-trans isomers of 1, 2-dibromoethenes. Chem Lett 2005, 34:1190-1191.
-
(2005)
Chem Lett
, vol.34
, pp. 1190-1191
-
-
Yamamoto, T.1
Kaneno, D.2
Tomoda, S.3
-
268
-
-
0000369785
-
Relative stability of 1,2-difluo-roethylenes
-
Binkley JS, Pople JA, Relative stability of 1, 2-difluo-roethylenes. Chem Phys Lett 1977, 45:197-200.
-
(1977)
Chem Phys Lett
, vol.45
, pp. 197-200
-
-
Binkley, J.S.1
Pople, J.A.2
-
269
-
-
0344197336
-
The role of correlation in calculations on 1,2-difluoroethylenes. The cis-trans energy difference
-
Cremer D. The role of correlation in calculations on 1, 2-difluoroethylenes. The cis-trans energy difference. Chem Phys Lett 1981, 81:481-485.
-
(1981)
Chem Phys Lett
, vol.81
, pp. 481-485
-
-
Cremer, D.1
-
270
-
-
0041841735
-
Role of electron correlation and polarization functions in the energy difference between cis- and trans-1,2-difluoroethylene
-
Gandhi SR, Benzel MA, Dykstra CE, Fukunaga T. Role of electron correlation and polarization functions in the energy difference between cis- and trans-1, 2-difluoroethylene. J Phys Chem 1982, 86:3121-3126.
-
(1982)
J Phys Chem
, vol.86
, pp. 3121-3126
-
-
Gandhi, S.R.1
Benzel, M.A.2
Dykstra, C.E.3
Fukunaga, T.4
-
271
-
-
0001138446
-
Geometries and energies of the fluoroethylenes
-
Dixon DA, Fukunaga T, Smart BE. Geometries and energies of the fluoroethylenes. J Am Chem Soc 1986, 108:1585-1588.
-
(1986)
J Am Chem Soc
, vol.108
, pp. 1585-1588
-
-
Dixon, D.A.1
Fukunaga, T.2
Smart, B.E.3
-
272
-
-
0001367108
-
Effect of electron correlation on the structures and relative stability of cis- and trans-1,2-difluoroethylene
-
Saebø S, Sellers H. Effect of electron correlation on the structures and relative stability of cis- and trans-1, 2-difluoroethylene. J Phys Chem 1988, 92:4266-4269.
-
(1988)
J Phys Chem
, vol.92
, pp. 4266-4269
-
-
Saebø, S.1
Sellers, H.2
-
273
-
-
0040349370
-
Overlap repulsion as an important contributor to aromaticity
-
Epiotis ND, Yates RL. Overlap repulsion as an important contributor to aromaticity. J Am Chem Soc 1976, 98:461-469.
-
(1976)
J Am Chem Soc
, vol.98
, pp. 461-469
-
-
Epiotis, N.D.1
Yates, R.L.2
-
274
-
-
0000523289
-
Quantitative nonempirical estimates of the effects of orbital interactions. Applications to difluoroethylenes
-
Bernardi F, Bottoni A, Epiotis ND, Guerra M. Quantitative nonempirical estimates of the effects of orbital interactions. Applications to difluoroethylenes. J Am Chem Soc 1978, 100:6018-6022.
-
(1978)
J Am Chem Soc
, vol.100
, pp. 6018-6022
-
-
Bernardi, F.1
Bottoni, A.2
Epiotis, N.D.3
Guerra, M.4
-
275
-
-
58149278926
-
The origin of cis effect in 1,2-dihaloethenes: the quantitative comparison of electron delocalizations and steric exchange repulsions
-
Yamamoto T, Kaneno D, Tomoda S. The origin of cis effect in 1, 2-dihaloethenes: the quantitative comparison of electron delocalizations and steric exchange repulsions. Bull Chem Soc Japan 2008, 81:1415-1422.
-
(2008)
Bull Chem Soc Japan
, vol.81
, pp. 1415-1422
-
-
Yamamoto, T.1
Kaneno, D.2
Tomoda, S.3
-
276
-
-
0011083499
-
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
-
Reed AE, Curtiss LA, Weinhold F. Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint. Chem Rev 1988, 88:899-926.
-
(1988)
Chem Rev
, vol.88
, pp. 899-926
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
278
-
-
0037020383
-
Teaching the right reasons: lessons from the mistaken origin of the rotational barrier in ethane
-
Schreiner PR. Teaching the right reasons: lessons from the mistaken origin of the rotational barrier in ethane. Angew Chem Int Ed Engl 2002, 41:3579-3581.
-
(2002)
Angew Chem Int Ed Engl
, vol.41
, pp. 3579-3581
-
-
Schreiner, P.R.1
-
279
-
-
0004293179
-
-
New York: Oxford University Press, Inc;
-
Kirby AJ. Stereoelectronic Effects. New York: Oxford University Press, Inc; 2000, 25-27.
-
(2000)
Stereoelectronic Effects
, pp. 25-27
-
-
Kirby, A.J.1
-
281
-
-
0001261240
-
Electronic control of stereoselectivities of electrocyclic reactions of cyclobutenes: a triumph of theory in the prediction of organic reactions
-
Dolbier WR Jr, Koroniak H, Houk KN, Sheu CC. Electronic control of stereoselectivities of electrocyclic reactions of cyclobutenes: a triumph of theory in the prediction of organic reactions. Acc Chem Res 1996, 29:471-477.
-
(1996)
Acc Chem Res
, vol.29
, pp. 471-477
-
-
Dolbier Jr., W.R.1
Koroniak, H.2
Houk, K.N.3
Sheu, C.C.4
-
283
-
-
33845552359
-
E2 reactions: emphasis on organotin compounds
-
E2 reactions: emphasis on organotin compounds. Acc Chem Res 1983, 16:177-184.
-
(1983)
Acc Chem Res
, vol.16
, pp. 177-184
-
-
Fukuto, J.M.1
Jensen, F.R.2
-
284
-
-
0001715203
-
The interaction of π orbitals with a carbocation over three σ bonds
-
Lambert JB, Ciro SB. The interaction of π orbitals with a carbocation over three σ bonds. J Org Chem 1996, 61:1940-1945.
-
(1996)
J Org Chem
, vol.61
, pp. 1940-1945
-
-
Lambert, J.B.1
Ciro, S.B.2
-
285
-
-
0001646485
-
* Orbitals: explanations, predictions, and experimental tests
-
* Orbitals: explanations, predictions, and experimental tests. Chem Commun 1998, 1919.
-
(1998)
Chem Commun
, vol.1919
-
-
Borden, W.T.1
-
286
-
-
33947088922
-
Strong conformational consequences of hyperconjugation
-
Hoffman R, Radom L, Pople JA, Schleyer PvR, Hehre W, Salem L. Strong conformational consequences of hyperconjugation. J Am Chem Soc 1972, 94:6221-6223.
-
(1972)
J Am Chem Soc
, vol.94
, pp. 6221-6223
-
-
Hoffman, R.1
Radom, L.2
Pople, J.A.3
Schleyer, P.4
Hehre, W.5
Salem, L.6
-
287
-
-
0345042108
-
Chemical bonding in hypervalent molecules. The dominance of ionic bonding and negative hyperconjugation over d-orbital participation
-
Reed AE, Schleyer PvR. Chemical bonding in hypervalent molecules. The dominance of ionic bonding and negative hyperconjugation over d-orbital participation. J Am Chem Soc 1990, 112:1434-1445.
-
(1990)
J Am Chem Soc
, vol.112
, pp. 1434-1445
-
-
Reed, A.E.1
Schleyer, P.2
|