-
3
-
-
0005960915
-
-
Howard, J. A.; Mile, B.; Tse, J. S.; Morris, H. J. Chem. Soc., Faraday Trans. 1987, 83, 3701.
-
(1987)
J. Chem. Soc., Faraday Trans.
, vol.83
, pp. 3701
-
-
Howard, J.A.1
Mile, B.2
Tse, J.S.3
Morris, H.4
-
4
-
-
0000881155
-
-
Kasai, P. H.; McLeod, P., Jr.; Watanabe, T. J. Am. Chem. Soc. 1977, 99, 3521.
-
(1977)
J. Am. Chem. Soc.
, vol.99
, pp. 3521
-
-
Kasai, P.H.1
McLeod Jr., P.2
Watanabe, T.3
-
5
-
-
0001253113
-
-
Chenier, J. H. B.; Howard, J. A.; Tse, J. S.; Mile, B. J. Am. Chem. Soc. 1985, 107, 7290.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 7290
-
-
Chenier, J.H.B.1
Howard, J.A.2
Tse, J.S.3
Mile, B.4
-
8
-
-
0001613113
-
-
Parnis, J. M.; Mitchell, S. A.; Rayner, D. M.; Hackett, P. A. J. Phys. Chem. 1988, 92, 3869.
-
(1988)
J. Phys. Chem.
, vol.92
, pp. 3869
-
-
Parnis, J.M.1
Mitchell, S.A.2
Rayner, D.M.3
Hackett, P.A.4
-
9
-
-
0001938026
-
-
Howard, J. A.; Joly, H. A.; Mile, B. J. Chem. Soc., Faraday Trans. 1990, 86, 219.
-
(1990)
J. Chem. Soc., Faraday Trans.
, vol.86
, pp. 219
-
-
Howard, J.A.1
Joly, H.A.2
Mile, B.3
-
10
-
-
0000822062
-
-
Chenier, J. H.; Howard, J. A.; Joly, H. A.; LeDuc, M.; Mile, B. J. Chem. Soc., Faraday Trans. 1990, 86, 3321.
-
(1990)
J. Chem. Soc., Faraday Trans.
, vol.86
, pp. 3321
-
-
Chenier, J.H.1
Howard, J.A.2
Joly, H.A.3
LeDuc, M.4
Mile, B.5
-
14
-
-
0001638061
-
-
Trenary, M.; Casida, M. E.; Brooks, B. R.; Schaefer, H. F., III J. Am. Chem. Soc. 1979, 101, 1638.
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 1638
-
-
Trenary, M.1
Casida, M.E.2
Brooks, B.R.3
Schaefer III, H.F.4
-
15
-
-
4043092434
-
-
Jing, S. Q.; Xie, Y.; Schaefer, H. F., III Chem. Phys. Lett. 1990, 170, 301.
-
(1990)
Chem. Phys. Lett.
, vol.170
, pp. 301
-
-
Jing, S.Q.1
Xie, Y.2
Schaefer III, H.F.3
-
16
-
-
0011767264
-
-
Fox, D. J.; Ray, D.; Rubesin, P. C.; Schaefer, H. F., III J. Chem. Phys. 1980, 73, 3246.
-
(1980)
J. Chem. Phys.
, vol.73
, pp. 3246
-
-
Fox, D.J.1
Ray, D.2
Rubesin, P.C.3
Schaefer III, H.F.4
-
17
-
-
0001069619
-
-
Histed, M.; Howard, J. A.; Morris, H.; Mile, B. J. Am. Chem. Soc. 1988, 110, 5290.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 5290
-
-
Histed, M.1
Howard, J.A.2
Morris, H.3
Mile, B.4
-
21
-
-
0003510038
-
-
Wavefunction, Inc.: 18401 Von Karman Ave., 370 Irvine, CA, 92715
-
Spartan, Version 4.0: Wavefunction, Inc.: 18401 Von Karman Ave., 370 Irvine, CA, 92715, 1995.
-
(1995)
Spartan, Version 4.0
-
-
-
22
-
-
84887525551
-
-
Gaussian Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Wong, M. W.; Foresman, J. B.; Robb, M. A.; Head-Gordon M.; Repogle, 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. P.; Pople, J. A. Gaussian 92/DFT, Revision G.3, Gaussian Inc.: Pittsburgh, PA, 1993.
-
(1993)
Gaussian 92/DFT, Revision G.3
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Wong, M.W.6
Foresman, J.B.7
Robb, M.A.8
Head-Gordon, M.9
Repogle, E.S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzalez, C.15
Martin, R.L.16
Fox, D.J.17
Defrees, D.J.18
Baker, J.19
Stewart, J.P.20
Pople, J.A.21
more..
-
23
-
-
0010922186
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Repogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P. Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, Revision B.2; Gaussian, Inc.: Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94, Revision B.2
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Repogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
26
-
-
34250926854
-
-
Fock, V. Z. Phys. 1930, 61, 126.
-
(1930)
Z. Phys.
, vol.61
, pp. 126
-
-
Fock, V.1
-
28
-
-
0000216001
-
-
Wilk, L.; Vosko, S. H.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
-
(1980)
Can. J. Phys.
, vol.58
, pp. 1200
-
-
Wilk, L.1
Vosko, S.H.2
Nusair, M.3
-
29
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
32
-
-
33645949559
-
-
Francl, M. M.; Petro, W. J.; Hehre, W. J.; Binkley, J. S.; Gordon, M. S.; DeFrees, D. J.; Pople, J. A. J. Chem. Phys. 1982, 77, 3654.
-
(1982)
J. Chem. Phys.
, vol.77
, pp. 3654
-
-
Francl, M.M.1
Petro, W.J.2
Hehre, W.J.3
Binkley, J.S.4
Gordon, M.S.5
Defrees, D.J.6
Pople, J.A.7
-
38
-
-
85033177876
-
-
Ph.D. Thesis, Université de Montréal
-
St-Amant, A. Ph.D. Thesis, Université de Montréal, 1991.
-
(1991)
-
-
St-Amant, A.1
-
39
-
-
0003442182
-
-
Labanowski, J., Andzelm, J., Eds.; Springer: New York
-
Salahub, D. R.; Fournier, R.; Mlynarski, P.; Papai, I.; St-Amant, A.; Ushio, J. Density Functional Methods in Chemistry; Labanowski, J., Andzelm, J., Eds.; Springer: New York, 1991.
-
(1991)
Density Functional Methods in Chemistry
-
-
Salahub, D.R.1
Fournier, R.2
Mlynarski, P.3
Papai, I.4
St-Amant, A.5
Ushio, J.6
-
40
-
-
3543031744
-
-
Cerjan, C., Ed.; NATO Advanced Study Institute C142
-
Daul, C.; Goursot, A.; Salahub, D. R. Grid Methods in Atomic and Molecular Quantum Calculations; Cerjan, C., Ed.; NATO Advanced Study Institute C142; 1993; Vol. 23.
-
(1993)
Grid Methods in Atomic and Molecular Quantum Calculations
, vol.23
-
-
Daul, C.1
Goursot, A.2
Salahub, D.R.3
-
42
-
-
26844534384
-
-
Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
44
-
-
84986468715
-
-
Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; von R. Schleyer, P. J. Comput. Chem. 1983, 4, 294.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 294
-
-
Clark, T.1
Chandrasekhar, J.2
Spitznagel, G.W.3
Von R. Schleyer, P.4
-
45
-
-
0000712790
-
-
Gill, P. M. W.; Johnson, B. G.; Pople, J. A.; Frisch, M. J. Chem. Phys. Lett. 1992, 197, 499.
-
(1992)
J. Chem. Phys. Lett.
, vol.197
, pp. 499
-
-
Gill, P.M.W.1
Johnson, B.G.2
Pople, J.A.3
Frisch, M.4
-
46
-
-
36549091139
-
-
Frisch, M. J.; Pople, J. A.; Binkley, J. S.; von R. Schleyer, P. J. Chem. Phys. 1984, 80, 3265.
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 3265
-
-
Frisch, M.J.1
Pople, J.A.2
Binkley, J.S.3
Von R. Schleyer, P.4
-
47
-
-
0000902671
-
-
Fermi, E. Z. Phys. 1930, 60, 320.
-
(1930)
Z. Phys.
, vol.60
, pp. 320
-
-
Fermi, E.1
|