-
5
-
-
0000244735
-
-
Thesis, Université de Montréal
-
A. St-Amant and D. R. Salahub, Chem. Phys. Lett. 169, 387 (1990); Alain St-Amant, Thesis, Université de Montréal (1992).
-
(1992)
-
-
St-Amant, A.1
-
8
-
-
0001470765
-
-
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
-
9
-
-
85033294710
-
-
Thesis, Université de Montréal
-
N. Godbout, Thesis, Université de Montréal, 1996.
-
(1996)
-
-
Godbout, N.1
-
11
-
-
0001314133
-
-
C. W. Bauschlicher, Jr., P. Siegbahn, and L. G. M. Pettersson, Theor. Chim. Acta 74, 479 (1988).
-
(1988)
Theor. Chim. Acta
, vol.74
, pp. 479
-
-
Bauschlicher Jr., C.W.1
Siegbahn, P.2
Pettersson, L.G.M.3
-
20
-
-
10444274694
-
-
J. Sugar and A. Musgrove, J. Phys. Chem. Ref. Data 19, 527 (1990); J. Sugar and C. Corliss, J. Phys. Chem. Ref. Data 14, Suppl. No. 2 (1990).
-
(1990)
J. Phys. Chem. Ref. Data
, vol.14
, Issue.2 SUPPL.
-
-
Sugar, J.1
Corliss, C.2
-
24
-
-
0345491105
-
-
B3LYP and BLYP schemes use the correlation functional of C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988). B3LYP uses the hybrid exchange functional due to A. D. Becke, J. Chem. Phys. 98, 5648 (1993); and BLYP uses the exchange functional due to A. D. Becke, Phys. Rev. A 38, 3098 (1988).
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
25
-
-
0000189651
-
-
B3LYP and BLYP schemes use the correlation functional of C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988). B3LYP uses the hybrid exchange functional due to A. D. Becke, J. Chem. Phys. 98, 5648 (1993); and BLYP uses the exchange functional due to A. D. Becke, Phys. Rev. A 38, 3098 (1988).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
26
-
-
4243553426
-
-
B3LYP and BLYP schemes use the correlation functional of C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988). B3LYP uses the hybrid exchange functional due to A. D. Becke, J. Chem. Phys. 98, 5648 (1993); and BLYP uses the exchange functional due to A. D. Becke, Phys. Rev. A 38, 3098 (1988).
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098
-
-
Becke, A.D.1
-
28
-
-
5844363910
-
-
M. Blomberg, U. Brandemark, J. Johansson, P. Siegbahn, and J. Wennerberg, J. Chem. Phys. 88, 5898 (1988).
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 5898
-
-
Blomberg, M.1
Brandemark, U.2
Johansson, J.3
Siegbahn, P.4
Wennerberg, J.5
|