-
4
-
-
0002549529
-
-
Houk, K. N.; Gonzalez, J.; Li, Y. Acc. Chem. Res. 1995, 28, 81.
-
(1995)
Acc. Chem. Res.
, vol.28
, pp. 81
-
-
Houk, K.N.1
Gonzalez, J.2
Li, Y.3
-
5
-
-
84981778017
-
-
Woodward, R. B.; Hoffmann, R. Ang. Chem., Int. Ed. Engl. 1969, 8, 781.
-
(1969)
Ang. Chem., Int. Ed. Engl.
, vol.8
, pp. 781
-
-
Woodward, R.B.1
Hoffmann, R.2
-
9
-
-
0342713055
-
-
Sauer, J.; Sustmann, R. Angew. Chem., Int. Ed. Engl. 1980, 19, 779.
-
(1980)
Angew. Chem., Int. Ed. Engl.
, vol.19
, pp. 779
-
-
Sauer, J.1
Sustmann, R.2
-
10
-
-
0001279705
-
-
Paquette, L. A.; Schaefer, A. G.; Blount, J. F. J. Am. Chem. Soc. 1983, 105, 3642.
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 3642
-
-
Paquette, L.A.1
Schaefer, A.G.2
Blount, J.F.3
-
11
-
-
33845374838
-
-
Dewar, M. J. S.; Olivella, S.; Stewart, J. J. P. J. Am. Chem. Soc. 1986, 108, 5771.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 5771
-
-
Dewar, M.J.S.1
Olivella, S.2
Stewart, J.J.P.3
-
12
-
-
0001514418
-
-
Marchand, A. P. N., Lehr, R. E., Eds.; Academic Press: New York
-
(a) Houk, K. N. In Pericyclic Reactions; Marchand, A. P. N., Lehr, R. E., Eds.; Academic Press: New York, 1977; Vol. II, p 181.
-
(1977)
Pericyclic Reactions
, vol.2
, pp. 181
-
-
Houk, K.N.1
-
20
-
-
0000907742
-
-
Eisenstein, O.; Lefour, J. M.; Anh, N. T.; Hudson, R. F. Tetrahedron 1977, 33, 523.
-
(1977)
Tetrahedron
, vol.33
, pp. 523
-
-
Eisenstein, O.1
Lefour, J.M.2
Anh, N.T.3
Hudson, R.F.4
-
21
-
-
33845373869
-
-
Kahn, S. D.; Pan, C. F.; Overman, L. E.; Hehre, W. J. Am. Chem. Soc. 1986, 108, 7381.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 7381
-
-
Kahn, S.D.1
Pan, C.F.2
Overman, L.E.3
Hehre, W.4
-
22
-
-
0001147462
-
Cycloaddition Reactions in Organic Synthesis
-
Pergamon Press: Oxford
-
Carruthers, W. Cycloaddition Reactions in Organic Synthesis; Tetrahedron Organic Chem. Series; Pergamon Press: Oxford, 1990; Vol. 8.
-
(1990)
Tetrahedron Organic Chem. Series
, vol.8
-
-
Carruthers, W.1
-
25
-
-
0007281020
-
-
Alston, P. V.; Ottenbrite, R. M.; Cohen, T. J. Org. Chem. 1978, 43, 1864.
-
(1978)
J. Org. Chem.
, vol.43
, pp. 1864
-
-
Alston, P.V.1
Ottenbrite, R.M.2
Cohen, T.3
-
26
-
-
0347826860
-
-
Alston, P. V.; Gordon, M. D.; Ottenbrite, R. M.; Cohen, T. J. Org. Chem. 1983, 48, 5051.
-
(1983)
J. Org. Chem.
, vol.48
, pp. 5051
-
-
Alston, P.V.1
Gordon, M.D.2
Ottenbrite, R.M.3
Cohen, T.4
-
27
-
-
0000653396
-
-
Güner, O. F.; Ottenbrite, R. M.; Shillady, D. D.; Alston, P. V. J. Org. Chem. 1988, 53, 5348.
-
(1988)
J. Org. Chem.
, vol.53
, pp. 5348
-
-
Güner, O.F.1
Ottenbrite, R.M.2
Shillady, D.D.3
Alston, P.V.4
-
30
-
-
4043160654
-
-
Oliva, A.; Fernandez-Alonso, J. I.; Bertran, J. Tetrahedron 1978, 34, 2029.
-
(1978)
Tetrahedron
, vol.34
, pp. 2029
-
-
Oliva, A.1
Fernandez-Alonso, J.I.2
Bertran, J.3
-
34
-
-
0008845023
-
Electronegativity
-
Springer-Verlag, New York
-
For a comprehensive account, see: Electronegativity. Structure and Bonding; Sen, K. D., Jorgenson, C. K., Eds.; Springer-Verlag, New York, 1987; Vol. 66.
-
(1987)
Structure and Bonding
, vol.66
-
-
Sen, K.D.1
Jorgenson, C.K.2
-
35
-
-
0003428857
-
Chemical Hardness
-
Springer-Verlag: New York
-
For a comprehensive acount see: Chemical Hardness. In Structure and Bonding; Sen, K. D., Ed.; Springer-Verlag: New York, 1993; Vol. 80.
-
(1993)
Structure and Bonding
, vol.80
-
-
Sen, K.D.1
-
40
-
-
85005577407
-
-
Harbola, M. K.; Chattaraj, P. K.; Parr, R. G. Israeli. Chem. 1991, 31, 395.
-
(1991)
Israeli. Chem.
, vol.31
, pp. 395
-
-
Harbola, M.K.1
Chattaraj, P.K.2
Parr, R.G.3
-
42
-
-
0000140589
-
-
Langenaeker, W.; De Proft, F.; Geerlings, P. J. Phys. Chem. 1995, 99, 6424.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 6424
-
-
Langenaeker, W.1
De Proft, F.2
Geerlings, P.3
-
43
-
-
0001704477
-
-
Langenaeker, W.; Demel, K.; Geerlings, P. J. Mol. Struct. (Theochem) 1992, 259, 317.
-
(1992)
J. Mol. Struct. (Theochem)
, vol.259
, pp. 317
-
-
Langenaeker, W.1
Demel, K.2
Geerlings, P.3
-
44
-
-
0026481036
-
-
Tielemans, M.; Areschka, V.; Colomer, J.; Promel, R.; Langenaeker, W.; Geerlings, P. Tetrahedron 1992, 48, 10575.
-
(1992)
Tetrahedron
, vol.48
, pp. 10575
-
-
Tielemans, M.1
Areschka, V.2
Colomer, J.3
Promel, R.4
Langenaeker, W.5
Geerlings, P.6
-
45
-
-
0007019352
-
-
Langenaeker, W.; Demel, K.; Geerlings, P. J. Mol. Struct. (Theochem) 1991, 234, 329.
-
(1991)
J. Mol. Struct. (Theochem)
, vol.234
, pp. 329
-
-
Langenaeker, W.1
Demel, K.2
Geerlings, P.3
-
46
-
-
4043152155
-
-
Choho, K.; Langenaeker, W.; Van De Woude, G.; Geerlings, P J. Mol. Struct. (Theochem) 1996, 305, 362.
-
(1996)
J. Mol. Struct. (Theochem)
, vol.305
, pp. 362
-
-
Choho, K.1
Langenaeker, W.2
Van De Woude, G.3
Geerlings, P.4
-
47
-
-
33751158806
-
-
De Proft, F.; Amira, S.; Choho, K.; Geerlings, P. J. Phys. Chem. 1994, 98, 5227.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 5227
-
-
De Proft, F.1
Amira, S.2
Choho, K.3
Geerlings, P.4
-
48
-
-
84981606946
-
-
De Proft, F.; Langenaeker, W.; Geerlings, P. Int. J. Quantum Chemistry 1995, 55, 459.
-
(1995)
Int. J. Quantum Chemistry
, vol.55
, pp. 459
-
-
De Proft, F.1
Langenaeker, W.2
Geerlings, P.3
-
49
-
-
0001607783
-
-
Langenaeker, W.; Coussement, N.; De Proft, F.; Geerlings, P. J. Phys. Chem. 1994, 98, 3010.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 3010
-
-
Langenaeker, W.1
Coussement, N.2
De Proft, F.3
Geerlings, P.4
-
50
-
-
0028907381
-
-
De Proft, F.; Langenaeker, W.; Geerlings, P. Tetrahedron. 1995, 51, 4021.
-
(1995)
Tetrahedron.
, vol.51
, pp. 4021
-
-
De Proft, F.1
Langenaeker, W.2
Geerlings, P.3
-
54
-
-
0000171532
-
-
Langenaeker, W.; De Proft, F.; Geerlings, P. J. Mol. Struct. (Theochem) 1996, 362, 175.
-
(1996)
J. Mol. Struct. (Theochem)
, vol.362
, pp. 175
-
-
Langenaeker, W.1
De Proft, F.2
Geerlings, P.3
-
55
-
-
0030570292
-
-
De Proft, F.; Martin, J. M. L.; Geerlings, P. Chem. Phys. Lett. 1996, 256, 400.
-
(1996)
Chem. Phys. Lett.
, vol.256
, pp. 400
-
-
De Proft, F.1
Martin, J.M.L.2
Geerlings, P.3
-
56
-
-
0000080818
-
-
Chattaraj, C. K.; Lee, H.; Parr, R. G. J. Am. Chem. Soc. 1991, 13, 1855.
-
(1991)
J. Am. Chem. Soc.
, vol.13
, pp. 1855
-
-
Chattaraj, C.K.1
Lee, H.2
Parr, R.G.3
-
58
-
-
36749117171
-
-
Parr, R. G.; Donnelly, R. A.; Levy, M.; Palke, W. E. J. Chem. Phys. 1978, 68, 3801.
-
(1978)
J. Chem. Phys.
, vol.68
, pp. 3801
-
-
Parr, R.G.1
Donnelly, R.A.2
Levy, M.3
Palke, W.E.4
-
60
-
-
84873055189
-
-
Wiley: New York
-
For a comprehensive and detailed account of listed quantum chemical methods and different types of basis sets, see Hehre, W. J.; Radom, L.; Schleyer, P. v. R.; Pople, J. A. Ab Initio Molecular Orbital Theory; Wiley: New York, 1986.
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.V.R.3
Pople, J.A.4
-
62
-
-
85033177200
-
-
UNICOS
-
GAMESS, General Atomic and Molecular Electronic Structure System., Department of Chemistry, North Dakota State University and Ames Laboratory, Iowa State University: (a) Cray Y-MP version, UNICOS; (b) CDC 4000 configuration, EP/IX.
-
Cray Y-MP Version
-
-
-
63
-
-
85033175698
-
-
EP/IX
-
GAMESS, General Atomic and Molecular Electronic Structure System., Department of Chemistry, North Dakota State University and Ames Laboratory, Iowa State University: (a) Cray Y-MP version, UNICOS; (b) CDC 4000 configuration, EP/IX.
-
CDC 4000 Configuration
-
-
-
64
-
-
84884501597
-
-
Gaussian, Int.: Pittsburgh PA
-
Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A., Gaussian 92, Revision C.4; Gaussian, Int.: Pittsburgh PA, 1992.
-
(1992)
Gaussian 92, Revision C.4
-
-
Frisch, M.J.1
Trucks, G.W.2
Head-Gordon, M.3
Gill, P.M.W.4
Foresman, J.B.5
Johnson, B.G.6
Schlegel, H.B.7
Robb, M.A.8
Replogle, E.S.9
Gomperts, R.10
Andres, J.L.11
Raghavachari, K.12
Binkley, J.S.13
Gonzalez, C.14
Martin, R.L.15
Fox, D.J.16
Defrees, D.J.17
Baker, J.18
Stewart, J.J.P.19
Pople, J.A.20
more..
-
65
-
-
85033176751
-
-
UniChem, Cray Research Inc., Eagon, MN, 1994
-
UniChem, Cray Research Inc., Eagon, MN, 1994.
-
-
-
-
66
-
-
0003849474
-
-
Seminario, S., Ed.; Elsevier: New York, in press
-
Geerlings, P.; De Proft, F.; Martin, J. M. L. In Recent Developments in Density Functional Theory. Theoretical and Computational Chemistry; Seminario, S., Ed.; Elsevier: New York, 1996; Vol. 5, in press.
-
(1996)
Recent Developments in Density Functional Theory. Theoretical and Computational Chemistry
, vol.5
-
-
Geerlings, P.1
De Proft, F.2
Martin, J.M.L.3
-
67
-
-
6144255611
-
-
Langenaeker, W.; De Decker. M; Geerlings, P.; Raeymaekers, P. J. Mol. Struct. (Theochem) 1990, 207, 115.
-
(1990)
J. Mol. Struct. (Theochem)
, vol.207
, pp. 115
-
-
Langenaeker, W.1
De Decker, M.2
Geerlings, P.3
Raeymaekers, P.4
-
69
-
-
0000360863
-
-
Pal, S.; Vaval, N.; Roy, R. J. Phys. Chem. 1993, 97, 4404.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 4404
-
-
Pal, S.1
Vaval, N.2
Roy, R.3
-
70
-
-
0010134739
-
-
Baeten, A.; De Proft, F.; Langenaeker, W.; Geerlings, P. J. Mol. Struct (Theochem) 1994, 306, 203.
-
(1994)
J. Mol. Struct (Theochem)
, vol.306
, pp. 203
-
-
Baeten, A.1
De Proft, F.2
Langenaeker, W.3
Geerlings, P.4
-
71
-
-
0040467756
-
-
De Proft, F.; Langenaeker, W.; Geerlings, P. J. Phys. Chem. 1993, 97, 1826.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 1826
-
-
De Proft, F.1
Langenaeker, W.2
Geerlings, P.3
-
72
-
-
33748960439
-
-
Houk, K. N.; Li, Y.; Evanseck, J. T. Angew. Chem., Int. Ed. Engl. 1992, 31, 682.
-
(1992)
Angew. Chem., Int. Ed. Engl.
, vol.31
, pp. 682
-
-
Houk, K.N.1
Li, Y.2
Evanseck, J.T.3
-
76
-
-
0013574861
-
-
Feuer, J.; Herndon, W. C.; Hall, L. H. Tetrahedron 1968, 24, 2575.
-
(1968)
Tetrahedron
, vol.24
, pp. 2575
-
-
Feuer, J.1
Herndon, W.C.2
Hall, L.H.3
-
79
-
-
4043149390
-
-
(a) Makin, S. M.; Boiko, I. L; Berezhnaya, M. A.; Boiko, T. N. Zh. Org. Khim. 1974, 10, 24.
-
(1974)
Zh. Org. Khim.
, vol.10
, pp. 24
-
-
Makin, S.M.1
Boiko, I.L.2
Berezhnaya, M.A.3
Boiko, T.N.4
-
82
-
-
4043169208
-
-
(a) Blain, M.; Odiot, S.; Martin, G. J.; Gouesnard, J.-P., Chalvet, O. Tetrahedron 1980, 36, 2775.
-
(1980)
Tetrahedron
, vol.36
, pp. 2775
-
-
Blain, M.1
Odiot, S.2
Martin, G.J.3
Gouesnard, J.-P.4
Chalvet, O.5
-
85
-
-
84918050714
-
-
Alder, K.; Schumacher, M.; Wolff, O. Justus Liebigs Ann. Chem. 1949, 564, 79.
-
(1949)
Justus Liebigs Ann. Chem.
, vol.564
, pp. 79
-
-
Alder, K.1
Schumacher, M.2
Wolff, O.3
-
86
-
-
0012420791
-
-
Fleming, I.; Michael, J. P.; Overman, L. E.; Taylor, G. F. Tetrahedron Lett. 1978, 1313.
-
(1978)
Tetrahedron Lett.
, pp. 1313
-
-
Fleming, I.1
Michael, J.P.2
Overman, L.E.3
Taylor, G.F.4
-
87
-
-
0000396786
-
-
Sustmann, R.; Rogge, M.; Nuechter, U.; Bandmann, H. Chem. Ber. 1992, 125, 1647.
-
(1992)
Chem. Ber.
, vol.125
, pp. 1647
-
-
Sustmann, R.1
Rogge, M.2
Nuechter, U.3
Bandmann, H.4
-
88
-
-
0010701904
-
-
(a) Gouesnard, J.-P.; Martin, G. J.; Blain, M. Tetrahedron. 1974, 30, 151.
-
(1974)
Tetrahedron.
, vol.30
, pp. 151
-
-
Gouesnard, J.-P.1
Martin, G.J.2
Blain, M.3
-
90
-
-
0013152582
-
-
Nametkin, N. S.; Gubin, S. P.; Ivanov, V. I.; Tyurin, V. D. Izvest. Akad. Nauk SSSR Ser. Khim. 1974, 1917.
-
(1974)
Izvest. Akad. Nauk SSSR Ser. Khim.
, pp. 1917
-
-
Nametkin, N.S.1
Gubin, S.P.2
Ivanov, V.I.3
Tyurin, V.D.4
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