-
1
-
-
0037154717
-
To what extent can aromaticity be defined uniquely?
-
Cyrañsky, M.K.; Krygowski, T.M.; Katritsky, A.R.; Schleyer, P.v.R. To what extent can aromaticity be defined uniquely? J. Org. Chem. 2002, 67, 1333-1338.
-
(2002)
J. Org. Chem.
, vol.67
, pp. 1333-1338
-
-
Cyrañsky, M.K.1
Krygowski, T.M.2
Katritsky, A.R.3
Schleyer, P.V.R.4
-
2
-
-
0010762104
-
Quantentheoretische Beiträge zum Benzolproblem I. Die Elektronenkonfiguration des Benzols und verwandter Verbindungen
-
Hückel, E. Quantentheoretische Beiträge zum Benzolproblem I. Die Elektronenkonfiguration des Benzols und verwandter Verbindungen. Z. Phys. 1931, 70, 204-286.
-
(1931)
Z. Phys.
, vol.70
, pp. 204-286
-
-
Hückel, E.1
-
3
-
-
0011190497
-
Nucleus-independent chemical shifts: a simple and efficient aromaticity probe
-
Schleyer, P.v.R.; Maerker, C.; Dransfeld, A.; Jiao, H.J.; Hommes, N.J.R.v.E. Nucleus-independent chemical shifts: a simple and efficient aromaticity probe. J. Am. Chem. Soc. 1996, 118, 6317.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 6317
-
-
Schleyer, P.V.R.1
Maerker, C.2
Dransfeld, A.3
Jiao, H.J.4
van Eikema Hommes, N.J.R.5
-
4
-
-
0042888578
-
Dissected Nucleus-Independent Chemical Shift Analysis of π-Aromaticity and Antiaromaticity
-
Schleyer, P.v.R.; Manoharan, M.; Wang, Z.-X.; Kiran, B.; Jiao, H.; Puchta, R.; Hommes, N.J.R.v.E. Dissected Nucleus-Independent Chemical Shift Analysis of π-Aromaticity and Antiaromaticity. Org. Lett. 2001, 3, 2465-2468.
-
(2001)
Org. Lett.
, vol.3
, pp. 2465-2468
-
-
Schleyer, P.V.R.1
Manoharan, M.2
Wang, Z.-X.3
Kiran, B.4
Jiao, H.5
Puchta, R.6
van Eikema Hommes, N.J.R.7
-
5
-
-
27744530363
-
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
-
Chen, Z.; Wannere, C.S.; Corminboeuf, C.; Puchta, R.; Schleyer, P.v.R. Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion. Chem. Rev. 2005, 105, 3842-3888.
-
(2005)
Chem. Rev.
, vol.105
, pp. 3842-3888
-
-
Chen, Z.1
Wannere, C.S.2
Corminboeuf, C.3
Puchta, R.4
Schleyer, P.V.R.5
-
6
-
-
33644959806
-
Which NICS Aromaticity Index for Planar πRings Is Best?
-
Fallah-Bagher-Shaidaei, H.; Wannere, C.S.; Corminboeuf, C.; Puchta, R.; Schleyer, P.v.R. Which NICS Aromaticity Index for Planar πRings Is Best? Org. Lett. 2006, 8, 863-866.
-
(2006)
Org. Lett.
, vol.8
, pp. 863-866
-
-
Fallah-Bagher-Shaidaei, H.1
Wannere, C.S.2
Corminboeuf, C.3
Puchta, R.4
Schleyer, P.V.R.5
-
7
-
-
0942279537
-
Induced magnetic fields in aromatic [n]-annulenes-interpretation of NICS tensor components
-
Corminboeuf, C.; Heine, T.; Seifert, G.; Schleyer, P.v.R.; Weber, J. Induced magnetic fields in aromatic [n]-annulenes-interpretation of NICS tensor components. Phys. Chem. Chem. Phys. 2004, 6, 273-276.
-
(2004)
Phys. Chem. Chem. Phys.
, vol.6
, pp. 273-276
-
-
Corminboeuf, C.1
Heine, T.2
Seifert, G.3
Schleyer, P.V.R.4
Weber, J.5
-
8
-
-
0035528892
-
Ab initio calculation of the anisotropy effect of multiple bonds and the ring current effect of arenes-application in conformational and configurational analysis
-
Kleinpeter, E.; Klod, S. Ab initio calculation of the anisotropy effect of multiple bonds and the ring current effect of arenes-application in conformational and configurational analysis. J. Chem. Soc. Perkin Trans. 2001, 2, 1893-1898.
-
(2001)
J. Chem. Soc. Perkin Trans.
, vol.2
, pp. 1893-1898
-
-
Kleinpeter, E.1
Klod, S.2
-
9
-
-
58949097520
-
Ab initio calculation of through-space magnetic shielding of linear polycyclic aromatic hydrocarbons (acenes): Extent of aromaticity
-
Martin, N.H.; Caldwell, B.C.; Carlson. K.P.; Teague, M.R. Ab initio calculation of through-space magnetic shielding of linear polycyclic aromatic hydrocarbons (acenes): Extent of aromaticity. J. Mol. Graph. Modell. 2009, 27, 689-692.
-
(2009)
J. Mol. Graph. Modell.
, vol.27
, pp. 689-692
-
-
Martin, N.H.1
Caldwell, B.C.2
Carlson, K.P.3
Teague, M.R.4
-
10
-
-
0035833044
-
An ab initio study of the NMR properties (absolute shieldings and NICS) of a series of significant aromatic and antiaromatic compounds
-
Alkorta, I.; Rozas, I.; Elguero, J. An ab initio study of the NMR properties (absolute shieldings and NICS) of a series of significant aromatic and antiaromatic compounds. Tetrahedron 2001, 57, 6043-6049.
-
(2001)
Tetrahedron
, vol.57
, pp. 6043-6049
-
-
Alkorta, I.1
Rozas, I.2
Elguero, J.3
-
11
-
-
0001026439
-
Chemical Shifts of the [N]Phenylenes and Related Compounds
-
Schulman, J.M.; Disch, R.L.; Jiao, H.; Schleyer, P.v.R. Chemical Shifts of the [N]Phenylenes and Related Compounds. J. Chem. Phys. A 1998, 102, 8051-8055.
-
(1998)
J. Chem. Phys. A
, vol.102
, pp. 8051-8055
-
-
Schulman, J.M.1
Disch, R.L.2
Jiao, H.3
Schleyer, P.V.R.4
-
12
-
-
34248218633
-
Visualization of through space NMR shieldings of aromatic and anti-aromatic molecules and a simple means to compare and estimate aromaticity
-
Kleinpeter, E.; Klod, S.; Koch, A. Visualization of through space NMR shieldings of aromatic and anti-aromatic molecules and a simple means to compare and estimate aromaticity. J. Mol. Struct. (THEOCHEM) 2007, 811, 45-60.
-
(2007)
J. Mol. Struct. (THEOCHEM)
, vol.811
, pp. 45-60
-
-
Kleinpeter, E.1
Klod, S.2
Koch, A.3
-
13
-
-
32144434172
-
Nucleus-Independent Chemical Shifts (NICS): Distance Dependence and Revised Criteria for Aromaticity and Antiaromaticity
-
Stanger, A. Nucleus-Independent Chemical Shifts (NICS): Distance Dependence and Revised Criteria for Aromaticity and Antiaromaticity. J. Org. Chem. 2006, 71, 883-893.
-
(2006)
J. Org. Chem.
, vol.71
, pp. 883-893
-
-
Stanger, A.1
-
14
-
-
33750496593
-
Computation of through-space NMR shielding effects by small-ring aromatic and antiaromatic hydrocarbons
-
Martin, N.H.; Loveless, D.M.; Main, K.L.; Wade, D.C. Computation of through-space NMR shielding effects by small-ring aromatic and antiaromatic hydrocarbons. J. Mol. Graph. Modell. 2006, 25, 389-395.
-
(2006)
J. Mol. Graph. Modell.
, vol.25
, pp. 389-395
-
-
Martin, N.H.1
Loveless, D.M.2
Main, K.L.3
Wade, D.C.4
-
15
-
-
67349150488
-
Computed NMR shielding increments over unsaturated five-membered ring heterocyclic compounds as a measure of aromaticity
-
Martin, N.H.; Rowe, J.E.; Pittman, E.L. Computed NMR shielding increments over unsaturated five-membered ring heterocyclic compounds as a measure of aromaticity. J. Mol. Graph. Modell. 2009, 28, 853-859.
-
(2009)
J. Mol. Graph. Modell.
, vol.28
, pp. 853-859
-
-
Martin, N.H.1
Rowe, J.E.2
Pittman, E.L.3
-
16
-
-
76549116088
-
Computed NMR shielding increments over benzo-analogs of unsaturated five-membered ring heterocyclic compounds as a measure of aromaticity
-
Martin, N.H.; Rowe, J.E.; Pittman, E.L. Computed NMR shielding increments over benzo-analogs of unsaturated five-membered ring heterocyclic compounds as a measure of aromaticity. J. Mol. Graph. Modell. 2010, 28, 650-656. http://dx.doi.org/10.1016/j.jmgm.2010.01.005.
-
(2010)
J. Mol. Graph. Modell.
, vol.28
, pp. 650-656
-
-
Martin, N.H.1
Rowe, J.E.2
Pittman, E.L.3
-
17
-
-
33748242148
-
Mills-Nixon Effect: Wherefore Art Thou?
-
and references cited therein
-
Siegel, J.S. Mills-Nixon Effect: Wherefore Art Thou? Angew. Chem. Int. Ed. Engl. 1994, 33 1721-1723, and references cited therein.
-
(1994)
Angew. Chem. Int. Ed. Engl.
, vol.33
, pp. 1721-1723
-
-
Siegel, J.S.1
-
18
-
-
84990128926
-
The Structures of 1H-Cyclopropabenzene and Its 1,1-Bis(triisopropylsilyl) Derivative
-
Neidlein, R.; Christen, D.; Poignée, V.; Boese, R.; Bläser, D.; Gieren, A.; Ruiz-Perez, C.; Hübner, T. The Structures of 1H-Cyclopropabenzene and Its 1,1-Bis(triisopropylsilyl) Derivative. Angew. Chem. Int. Ed. Engl. 1988, 27, 294-295.
-
(1988)
Angew. Chem. Int. Ed. Engl.
, vol.27
, pp. 294-295
-
-
Neidlein, R.1
Christen, D.2
Poignée, V.3
Boese, R.4
Bläser, D.5
Gieren, A.6
Ruiz-Perez, C.7
Hübner, T.8
-
19
-
-
84990142361
-
Structures and Deformation Electron Densities of 1,2-Dihydrocyclobutabenzene and 1,2,4,5-Tetrahydrodicyclobuta[a,d]benzene
-
Boese, R.; Bläser, D. Structures and Deformation Electron Densities of 1,2-Dihydrocyclobutabenzene and 1,2,4,5-Tetrahydrodicyclobuta[a,d]benzene. Angew. Chem. Int. Ed. Engl. 1988, 27, 304-305.
-
(1988)
Angew. Chem. Int. Ed. Engl.
, vol.27
, pp. 304-305
-
-
Boese, R.1
Bläser, D.2
-
20
-
-
0000026440
-
Is the Mills-Nixon Effect Real?
-
Stanger, A. Is the Mills-Nixon Effect Real? J. Am. Chem. Soc. 1991, 113, 8277-8280.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 8277-8280
-
-
Stanger, A.1
-
21
-
-
0037067527
-
Control of the Diatropic πRing Current in Strained Benzenes: Effects of Annelation with Cyclopropa, Cyclobuta, and Cyclobutadieno Clamping Groups
-
Soncini, A.; Havenith, R.W.A.; Fowler, P.W.; Jenneskens, L.W.; Steiner, E. Control of the Diatropic πRing Current in Strained Benzenes: Effects of Annelation with Cyclopropa, Cyclobuta, and Cyclobutadieno Clamping Groups. J. Org. Chem. 2002, 67, 4753-4758.
-
(2002)
J. Org. Chem.
, vol.67
, pp. 4753-4758
-
-
Soncini, A.1
Havenith, R.W.A.2
Fowler, P.W.3
Jenneskens, L.W.4
Steiner, E.5
-
22
-
-
72449136277
-
Direct Assessment of Electron Delocalization Using NMR Chemical Shifts
-
Steinmann, S.N.; Jana, D.F.; Wu, J.I.-C.; Schleyer, P.v.R.; Mo, Y.; Corminboeuf, C. Direct Assessment of Electron Delocalization Using NMR Chemical Shifts. Angew. Chem. Int. Ed. 2009, 48, 9828-9833.
-
(2009)
Angew. Chem. Int. Ed.
, vol.48
, pp. 9828-9833
-
-
Steinmann, S.N.1
Jana, D.F.2
Wu, J.-C.3
Schleyer, P.V.R.4
Mo, Y.5
Corminboeuf, C.6
-
23
-
-
0000599309
-
Ab initio hybrid DFT-GIAO calculations of the shielding produced by carbon-carbon bonds and aromatic rings in 1H-NMR spectroscopy
-
Alkorta, I.; Elguero, J. Ab initio hybrid DFT-GIAO calculations of the shielding produced by carbon-carbon bonds and aromatic rings in 1H-NMR spectroscopy. New J. Chem. 1998, 381-385.
-
(1998)
New J. Chem.
, pp. 381-385
-
-
Alkorta, I.1
Elguero, J.2
-
24
-
-
0002422612
-
A refinement of the structure of biphenylene
-
Fawcett, J. K.; Trotter, J. A refinement of the structure of biphenylene. Acta Crystallogr. 1966, 20, 87-93.
-
(1966)
Acta Crystallogr
, vol.20
, pp. 87-93
-
-
Fawcett, J.K.1
Trotter, J.2
-
25
-
-
0001664642
-
Four-Membered Ring Compounds Containing Bis(methy1ene)cyclobutene or Tetrakis(methylene)cyclobutane Moieties. Benzocyclobutadiene, Benzodicyclobutadiene, Biphenylene, and Related Compounds
-
Toda, F.; Garratt, P. Four-Membered Ring Compounds Containing Bis(methy1ene)cyclobutene or Tetrakis(methylene)cyclobutane Moieties. Benzocyclobutadiene, Benzodicyclobutadiene, Biphenylene, and Related Compounds. Chem. Rev. 1992, 92, 1685-1707.
-
(1992)
Chem. Rev.
, vol.92
, pp. 1685-1707
-
-
Toda, F.1
Garratt, P.2
-
26
-
-
33845379479
-
A New Approach to the Construction of Biphenylenes by the Cobalt-Catalyzed Cocyclization of o-Diethynylbenzenes with Alkynes. Application to an Iterative Approach to [3]Phenylene, the First Member of a Novel Class of Benzocyclobutadienoid Hydrocarbons
-
Berris, B.C.; Hovakeemian, G.H.; Lai, Y.-H.; Mestdagh, H; Vollhardt, K.P.C. A New Approach to the Construction of Biphenylenes by the Cobalt-Catalyzed Cocyclization of o-Diethynylbenzenes with Alkynes. Application to an Iterative Approach to [3]Phenylene, the First Member of a Novel Class of Benzocyclobutadienoid Hydrocarbons. J. Am. Chem. Soc. 1985, 107, 5670-5687.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 5670-5687
-
-
Berris, B.C.1
Hovakeemian, G.H.2
Lai, Y.-H.3
Mestdagh, H.4
Vollhardt, K.P.C.5
-
27
-
-
42649129696
-
Trisannelated benzenes - Aromatic molecules or 1,3,5-cyclohexatriene derivatives subjected to magnetic properties
-
Kleinpeter, E.; Koch, A. Trisannelated benzenes - Aromatic molecules or 1,3,5-cyclohexatriene derivatives subjected to magnetic properties. J. Mol. Struct. (THEOCHEM) 2008, 857, 89-94.
-
(2008)
J. Mol. Struct. (THEOCHEM)
, vol.857
, pp. 89-94
-
-
Kleinpeter, E.1
Koch, A.2
-
28
-
-
84985616441
-
Novel Synthesis of the Angular [3]Phenylene (Terphenylene) by Cobalt-Catalyzed Cyclization of Bis(2-ethynylphenyl)ethyne: a Molecule With an Internal Cyclohexatriene Ring
-
Diercks, R.; Vollhardt, K.P.C. Novel Synthesis of the Angular [3]Phenylene (Terphenylene) by Cobalt-Catalyzed Cyclization of Bis(2-ethynylphenyl)ethyne: a Molecule With an Internal Cyclohexatriene Ring. Angew. Chem., Int. Ed. Engl. 1986, 25, 266-268.
-
(1986)
Angew. Chem., Int. Ed. Engl.
, vol.25
, pp. 266-268
-
-
Diercks, R.1
Vollhardt, K.P.C.2
-
29
-
-
0035929955
-
Survival and extinction of delocalised ring currents in clamped benzenes
-
Fowler, P.W.; Havenith, R.W.A.; Jenneskens, L.W.; Soncini, A.; Steiner, E. Survival and extinction of delocalised ring currents in clamped benzenes. Chem. Commun. 2001, 22, 2386-2387.
-
(2001)
Chem. Commun.
, vol.22
, pp. 2386-2387
-
-
Fowler, P.W.1
Havenith, R.W.A.2
Jenneskens, L.W.3
Soncini, A.4
Steiner, E.5
-
30
-
-
4043179956
-
Tris(benzocyclobutadieno)benzene, the Triangular [4]Phenylene with a Completely Bond-Fixed Cyclohexatriene Ring: Cobalt-Catalyzed Synthesis From Hexaethynylbenzene and Thermal Ring Opening to 1,2:5,6:9,10-Tribenzo-3,4,7,8,11,12-hexadehydro[12]annulene
-
Diercks, R.; Vollhardt, K.P.C. Tris(benzocyclobutadieno)benzene, the Triangular [4]Phenylene with a Completely Bond-Fixed Cyclohexatriene Ring: Cobalt-Catalyzed Synthesis From Hexaethynylbenzene and Thermal Ring Opening to 1,2:5,6:9,10-Tribenzo-3,4,7,8,11,12-hexadehydro[12]annulene. J. Am. Chem. Soc. 1986, 108, 3150-3152.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 3150-3152
-
-
Diercks, R.1
Vollhardt, K.P.C.2
-
31
-
-
7744220831
-
A comparison of calculated NMR shielding probes
-
and references cited therein
-
Martin, N.H.; Loveless, D.M.; Wade, D.C. A comparison of calculated NMR shielding probes. J. Mol. Graph. Modell. 2004, 23, 285-290, and references cited therein.
-
(2004)
J. Mol. Graph. Modell.
, vol.23
, pp. 285-290
-
-
Martin, N.H.1
Loveless, D.M.2
Wade, D.C.3
-
32
-
-
36148995600
-
Natural population analysis
-
Reed, A.E.; Weinstock, R.B.; Weinhold, F. Natural population analysis. J. Chem. Phys. 1985, 83, 735-746.
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 735-746
-
-
Reed, A.E.1
Weinstock, R.B.2
Weinhold, F.3
-
33
-
-
84860461026
-
-
Titan, Version 1.0.1; Wavefunction Inc., Schrödinger, Inc.: Portland, OR
-
Titan, Version 1.0.1; Wavefunction Inc., Schrödinger, Inc.: Portland, OR, 1999.
-
(1999)
-
-
-
34
-
-
84873055189
-
-
Wiley, New York, USA
-
Hehre, W.J.; Radom, L.; Schleyer, P.v.R.; Pople, J.A. Ab Initio Molecular Orbital Theory; Wiley, New York, USA, 1986.
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.V.R.3
Pople, J.A.4
-
35
-
-
0000276816
-
An Empirical Proton NMR Shielding Equation for Alkenes based on Ab Initio Calculations
-
Martin, N.H.; Allen, N.W., III; Minga, E.K.; Ingrassia, S.T. An Empirical Proton NMR Shielding Equation for Alkenes based on Ab Initio Calculations. Struct. Chem. 1998, 9, 403-410.
-
(1998)
Struct. Chem.
, vol.9
, pp. 403-410
-
-
Martin, N.H.1
Allen, N.W.2
Minga III, E.K.3
Ingrassia, S.T.4
-
36
-
-
0001684280
-
Analysis of the Origin of Through-Space Proton NMR Deshielding by Selected Organic Functional Groups
-
Martin, N.H.; Brown, J.D.; Nance, K.H.; Schaefer, H.F., Jr.; Schleyer, P.v.R.; Wang, Z.-X.; Woodcock, H.L. Analysis of the Origin of Through-Space Proton NMR Deshielding by Selected Organic Functional Groups. Org. Lett. 2001, 3, 3823-3826.
-
(2001)
Org. Lett.
, vol.3
, pp. 3823-3826
-
-
Martin, N.H.1
Brown, J.D.2
Nance, K.H.3
Schaefer Jr., H.F.4
Schleyer, P.V.R.5
Wang, Z.-X.6
Woodcock, H.L.7
-
37
-
-
0038626673
-
-
Revision B.01; Gaussian Inc.: Pittsburgh, PA
-
Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.; Montgomery, J.A., Jr.; Vreven, T.; Kudin, K.N.; Burant, J.C.; Millam, J.M.; Iyengar, S.S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G.A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J.E.; Hratchian, H.P.; Cross, J.B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R.E.; Yazyev, O.; Austin, A.J.; Cammi, R.; Pomelli, C.; Ochterski, J.W.; Ayala, P.Y.; Morokuma, K.; Voth, G.A.; Salvador, P.; Dannenberg, J.J.; Zakrzewski, V.G.; Dapprich, S.; Daniels, A.D.; Strain, M.C.; Farkas, O.; Malick, D.K.; Rabuck, A.D.; Raghavachari, K.; Foresman, J.B.; Ortiz, J.V.; Cui, Q.; Baboul, A.G.; Clifford, S.; Cioslowski, J.; Stefanov, B.B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R.L.; Fox, D.J.; Keith, T.; Al-Laham, M.A.; Peng, C.Y.; Nanayakkara, A.; Challacombe, M.; Gill, P.M.W.; Johnson, B.; Chen, W.; Wong, M.W.; Gonzalez, C.; Pople, J.A. Gaussian 03, Revision B.01; Gaussian Inc.: Pittsburgh, PA, 2003.
-
(2003)
Gaussian 03
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery Jr., J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Adamo, C.36
Jaramillo, J.37
Gomperts, R.38
Stratmann, R.E.39
Yazyev, O.40
Austin, A.J.41
Cammi, R.42
Pomelli, C.43
Ochterski, J.W.44
Ayala, P.Y.45
Morokuma, K.46
Voth, G.A.47
Salvador, P.48
Dannenberg, J.J.49
Zakrzewski, V.G.50
Dapprich, S.51
Daniels, A.D.52
Strain, M.C.53
Farkas, O.54
Malick, D.K.55
Rabuck, A.D.56
Raghavachari, K.57
Foresman, J.B.58
Ortiz, J.V.59
Cui, Q.60
Baboul, A.G.61
Clifford, S.62
Cioslowski, J.63
Stefanov, B.B.64
Liu, G.65
Liashenko, A.66
Piskorz, P.67
Komaromi, I.68
Martin, R.L.69
Fox, D.J.70
Keith, T.71
Al-Laham, M.A.72
Peng, C.Y.73
Nanayakkara, A.74
Challacombe, M.75
Gill, P.M.W.76
Johnson, B.77
Chen, W.78
Wong, M.W.79
Gonzalez, C.80
Pople, J.A.81
more..
-
38
-
-
40749134146
-
Computation of throughspace NMR shielding effects in aromatic ring pi-stacked complexes
-
Martin, N.H.; Floyd, R.M.; Woodcock, H.L.; Huffman, S.; Lee, C.-K. Computation of throughspace NMR shielding effects in aromatic ring pi-stacked complexes J. Mol. Graph. Modell. 2008, 26, 1125-1130.
-
(2008)
J. Mol. Graph. Modell.
, vol.26
, pp. 1125-1130
-
-
Martin, N.H.1
Floyd, R.M.2
Woodcock, H.L.3
Huffman, S.4
Lee, C.-K.5
-
39
-
-
84890021933
-
The calculations of small molecular interaction by the difference of separate total energies. Some procedures with reduced error
-
Boys, S.F.; Bernardi, F. The calculations of small molecular interaction by the difference of separate total energies. Some procedures with reduced error. Mol. Phys. 1970, 19, 553-566.
-
(1970)
Mol. Phys.
, vol.19
, pp. 553-566
-
-
Boys, S.F.1
Bernardi, F.2
-
40
-
-
84856257885
-
-
Version 9.01; Systat Software, Inc.; San Jose, CA
-
SigmaPlot 2004 for Windows, Version 9.01; Systat Software, Inc.; San Jose, CA, 2004.
-
(2004)
SigmaPlot 2004 for Windows
-
-
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