-
1
-
-
84990726992
-
-
A. Hagfeldt, H. O. G. Siegbahn, S.-E. Lindquist, and S. Lunell, Int. J. Quantum Chem. 44, 477 (1992).
-
(1992)
Int. J. Quantum Chem.
, vol.44
, pp. 477
-
-
Hagfeldt, A.1
Siegbahn, H.O.G.2
Lindquist, S.-E.3
Lunell, S.4
-
2
-
-
0000052963
-
-
A. Hagfeldt, R. Bergström, H. O. G. Siegbahn, and S. Lunell, J. Phys. Chem. 97, 12725 (1993).
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 12725
-
-
Hagfeldt, A.1
Bergström, R.2
Siegbahn, H.O.G.3
Lunell, S.4
-
8
-
-
84887525551
-
-
Gaussian Inc., Pittsburgh, PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. W. Wong, J. B. Foresman, M. A. Robb, M. Head-Gordon, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzalez, R. L. Martin, D. J. Fox, D. J. DeFrees, J. Baker, J. J. P. Stewart, and J. A. Pople, 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
Replogle, 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.J.P.20
Pople, J.A.21
more..
-
10
-
-
85080473307
-
-
Ph.D. Thesis, Université de Montréal
-
(b) A. St-Amant, Ph.D. Thesis, Université de Montréal, 1991.
-
(1991)
-
-
St-Amant, A.1
-
11
-
-
0003442182
-
-
J. Labanowski and J. Andzelm, Eds. Springer-Verlag, New York
-
(c) D. R. Salahub, R. Fournier, P. Mlynarski, I. Papai, A. St-Amant, and J. Ushio, In Density Functional Methods in Chemistry, J. Labanowski and J. Andzelm, Eds. (Springer-Verlag, 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
-
12
-
-
0003569338
-
-
C. Cerjan, Ed., NATO ASI C412 Kluwer, Dordrecht
-
(d) C. Daul, A. Goursot, and D. R. Salahub, In Numerical Grid Methods and Their Application to Schrödinger's Equation, C. Cerjan, Ed., NATO ASI C412 (Kluwer, Dordrecht, 1993).
-
(1993)
Numerical Grid Methods and Their Application to Schrödinger's Equation
-
-
Daul, C.1
Goursot, A.2
Salahub, D.R.3
-
13
-
-
0003460779
-
-
McGraw-Hill, New York
-
J. C. Slater, Quantum Theory of Molecules and Solids, Vol. 4, The Self-Consistent Field for Molecules and Solids (McGraw-Hill, New York, 1974).
-
(1974)
Quantum Theory of Molecules and Solids, Vol. 4, The Self-Consistent Field for Molecules and Solids
, vol.4
-
-
Slater, J.C.1
-
22
-
-
36449007241
-
-
(a) F. Sim, D. R. Salahub, S. Chin, and M. Dupuis, J. Chem. Phys. 95, 4317 (1991).
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 4317
-
-
Sim, F.1
Salahub, D.R.2
Chin, S.3
Dupuis, M.4
-
23
-
-
0001470765
-
-
(b) N. Godbout, D. R. Salahub, J. Andzelm, and E. Wimmer, Can J. Chem. 70, 560 (1992).
-
(1992)
Can J. Chem.
, vol.70
, pp. 560
-
-
Godbout, N.1
Salahub, D.R.2
Andzelm, J.3
Wimmer, E.4
-
31
-
-
36449006464
-
-
L. A. Eriksson, L. G. M. Pettersson, P. E. M. Siegbahn, and U. Wahlgren, J. Chem. Phys. 102, 872 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 872
-
-
Eriksson, L.A.1
Pettersson, L.G.M.2
Siegbahn, P.E.M.3
Wahlgren, U.4
-
32
-
-
33745181247
-
-
M. C. Holthausen, C. Heinemann, H. H. Cornehl, W. Koch, and H. Schwarz, J. Chem. Phys. 102, 4931 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 4931
-
-
Holthausen, M.C.1
Heinemann, C.2
Cornehl, H.H.3
Koch, W.4
Schwarz, H.5
-
36
-
-
0000517851
-
-
J. M. Dyke, B. W. J. Gravenor, G. D. Josland, R. A. Lewis, and A. Morris, Mol. Phys. 53, 465 (1984).
-
(1984)
Mol. Phys.
, vol.53
, pp. 465
-
-
Dyke, J.M.1
Gravenor, B.W.J.2
Josland, G.D.3
Lewis, R.A.4
Morris, A.5
-
37
-
-
0000740487
-
-
C. W. Bauschlicher, Jr., P. S. Bagus, and C. J. Nelin, Chem. Phys. Lett. 101, 229 (1983).
-
(1983)
Chem. Phys. Lett.
, vol.101
, pp. 229
-
-
Bauschlicher Jr., C.W.1
Bagus, P.S.2
Nelin, C.J.3
-
41
-
-
36549093467
-
-
M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys. 86, 2123 (1987).
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 2123
-
-
Dolg, M.1
Wedig, U.2
Stoll, H.3
Preuss, H.4
-
42
-
-
0001337807
-
-
C. W. Bauschlicher, Jr., S. R. Langhoff, and A. Komornicki, Theor. Chim. Acta 77, 263 (1990).
-
(1990)
Theor. Chim. Acta
, vol.77
, pp. 263
-
-
Bauschlicher Jr., C.W.1
Langhoff, S.R.2
Komornicki, A.3
-
49
-
-
36449006111
-
-
C. W. Bauschlicher, Jr., H. Partridge, S. R. Langhoff, and M. Rosi, J. Chem. Phys. 95, 1057 (1991).
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 1057
-
-
Bauschlicher Jr., C.W.1
Partridge, H.2
Langhoff, S.R.3
Rosi, M.4
-
50
-
-
0001761845
-
-
M. Doverstål, B. Lindgren, U. Sassenberg, C. A. Arrington, and M. D. Morse, J. Chem. Phys. 97, 7087 (1992).
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 7087
-
-
Doverstål, M.1
Lindgren, B.2
Sassenberg, U.3
Arrington, C.A.4
Morse, M.D.5
-
53
-
-
0000716315
-
-
C. Cossé, M. Fouassier, T. Mejean, M. Tranquille, D. P. DiLella, and M. Moskovits, J. Chem. Phys. 73, 6076 (1980).
-
(1980)
J. Chem. Phys.
, vol.73
, pp. 6076
-
-
Cossé, C.1
Fouassier, M.2
Mejean, T.3
Tranquille, M.4
Dilella, D.P.5
Moskovits, M.6
|