-
6
-
-
0009610183
-
-
MOLPRO is a package of ab initio programs written by H-J. Werner and P. J. Knowles, with contributions by J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. A. Peterson, R. M. Pitzer, A. J. Stone and P. R. Taylor, University of Birmingham, UK
-
3 MOLPRO is a package of ab initio programs written by H-J. Werner and P. J. Knowles, with contributions by J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. A. Peterson, R. M. Pitzer, A. J. Stone and P. R. Taylor, University of Birmingham, UK.
-
-
-
-
8
-
-
0000287603
-
-
5 M. E. Casida, C. Jamorski, K. C. Casida and D. R. Salahub, J. Chem. Phys., 1998, 108, 4439.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 4439
-
-
Casida, M.E.1
Jamorski, C.2
Casida, K.C.3
Salahub, D.R.4
-
12
-
-
0001132752
-
-
9 J. P. Perdew, R. G. Parr, M. Levy and J. L. Balduz, Phys. Rev. Lett., 1982, 49, 1691.
-
(1982)
Phys. Rev. Lett.
, vol.49
, pp. 1691
-
-
Perdew, J.P.1
Parr, R.G.2
Levy, M.3
Balduz, J.L.4
-
13
-
-
0001652762
-
-
10 F. A. Hamprecht, A. J. Cohen, D. J. Tozer and N. C. Handy, J. Chem. Phys., 1998, 109, 6264.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 6264
-
-
Hamprecht, F.A.1
Cohen, A.J.2
Tozer, D.J.3
Handy, N.C.4
-
14
-
-
0009608032
-
-
11 R. D. Verma, M. N. Dixit, S. S. Jois, S. Nagaraj and S. R. Singhal, Can. J. Phys., 1971, 49, 3180.
-
(1971)
Can. J. Phys.
, vol.49
, pp. 3180
-
-
Verma, R.D.1
Dixit, M.N.2
Jois, S.S.3
Nagaraj, S.4
Singhal, S.R.5
-
15
-
-
0009607072
-
-
12 S. Guha, S. S. Jois and R. D. Verma, Can. J. Phys., 1972, 50, 1579.
-
(1972)
Can. J. Phys.
, vol.50
, pp. 1579
-
-
Guha, S.1
Jois, S.S.2
Verma, R.D.3
-
19
-
-
85013880364
-
-
16 C. Couet, B. Coquart, T. A. Ngo and H. Guenebaut, J. Chim. Phys. (Paris), 1968, 65, 1241.
-
(1968)
J. Chim. Phys. (Paris)
, vol.65
, pp. 1241
-
-
Couet, C.1
Coquart, B.2
Ngo, T.A.3
Guenebaut, H.4
-
20
-
-
0009644565
-
-
17 B. Coquart, M. Da Paz and J. C. Prudhomme, Can. J. Phys., 1974, 52, 177.
-
(1974)
Can. J. Phys.
, vol.52
, pp. 177
-
-
Coquart, B.1
Da Paz, M.2
Prudhomme, J.C.3
-
22
-
-
0000070361
-
-
19 T. A. Ngo, M. Da Paz, B. Coquart and C. Couet, Can. J. Phys., 1974, 52, 154.
-
(1974)
Can. J. Phys.
, vol.52
, pp. 154
-
-
Ngo, T.A.1
Da Paz, M.2
Coquart, B.3
Couet, C.4
-
23
-
-
0009591969
-
-
20 B. Coquart, M. Da Paz and J. C. Prudhomme, Can. J. Phys., 1975, 53, 377.
-
(1975)
Can. J. Phys.
, vol.53
, pp. 377
-
-
Coquart, B.1
Da Paz, M.2
Prudhomme, J.C.3
-
24
-
-
0009592922
-
-
21 S. Ghosh, S. Nagaraj and R. D. Verma, Can. J. Phys., 1976, 54, 695.
-
(1976)
Can. J. Phys.
, vol.54
, pp. 695
-
-
Ghosh, S.1
Nagaraj, S.2
Verma, R.D.3
-
29
-
-
4143095330
-
-
(b) R. A. Kendall, T. H. Dunning Jr. and R. J. Harrison, ibid., 1992, 96, 6796;
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning T.H., Jr.2
Harrison, R.J.3
-
31
-
-
26444474547
-
-
(d) 1994, 100, 2975.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 2975
-
-
-
32
-
-
0003392735
-
-
Washington, DC, NSRDS-NBS 35
-
25 C. E. Moore. Atomic Energy Levels, as Derived from the Analysis of Optical Spectra, Washington, DC, 1971, NSRDS-NBS 35/Vol. I.
-
(1971)
Atomic Energy Levels, as Derived from the Analysis of Optical Spectra
, vol.1
-
-
Moore, C.E.1
-
33
-
-
0003990718
-
CADPAC6.5
-
Cambridge, UK
-
26 R. D. Amos, I. L. Alberts, J. S. Andrews, S. M. Colwell, N. C. Handy, D. Jayatilaka, P. J. Knowles, R. Kobayashi, G. J. Laming, A. M. Lee, P. E. Maslen, C. W. Murray, P. Palmieri, J. E. Rice, E. D. Simandiras, A. J. Stone, M-D. Su and D. J. Tozer, CADPAC6.5, The Cambridge Analytic Derivatives Package, Cambridge, UK, 1998.
-
(1998)
The Cambridge Analytic Derivatives Package
-
-
Amos, R.D.1
Alberts, I.L.2
Andrews, J.S.3
Colwell, S.M.4
Handy, N.C.5
Jayatilaka, D.6
Knowles, P.J.7
Kobayashi, R.8
Laming, G.J.9
Lee, A.M.10
Maslen, P.E.11
Murray, C.W.12
Palmieri, P.13
Rice, J.E.14
Simandiras, E.D.15
Stone, A.J.16
Su, M.-D.17
Tozer, D.J.18
-
35
-
-
0009593085
-
-
28 (a) F. Ackermann, H. Lefebvre-Brion and A. L. Roche, Can. J. Phys., 1972, 50, 692;
-
(1972)
Can. J. Phys.
, vol.50
, pp. 692
-
-
Ackermann, F.1
Lefebvre-Brion, H.2
Roche, A.L.3
-
37
-
-
14844361163
-
-
29 J. Drowart, C. E. Myers, R. Szwarc, A. Vander Auwera-Mahieu and O. M. Uy, J. Chem. Soc., Faraday Trans. 2, 1972, 68, 1749.
-
(1972)
J. Chem. Soc., Faraday Trans. 2
, vol.68
, pp. 1749
-
-
Drowart, J.1
Myers, C.E.2
Szwarc, R.3
Vander Auwera-Mahieu, A.4
Uy, O.M.5
-
40
-
-
0003356466
-
-
32 M. E. Casida, K. C. Casida and D. R. Salahub, Int. J. Quantum Chem. Symp., 1998, 70, 933.
-
(1998)
Int. J. Quantum Chem. Symp.
, vol.70
, pp. 933
-
-
Casida, M.E.1
Casida, K.C.2
Salahub, D.R.3
-
41
-
-
0000724611
-
-
33 M. R. J. Hachey, P. J. Bruna and F. Grein, J. Phys. Chem., 1995, 99, 8050.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 8050
-
-
Hachey, M.R.J.1
Bruna, P.J.2
Grein, F.3
|