-
2
-
-
16444375810
-
-
Johnson, B.G., Gill, P.M.W., and Pople, J.A., 1993. J. chem. Phys., 98:5612–5612.
-
(1993)
J. chem. Phys.
, vol.98
, pp. 5612
-
-
Johnson, B.G.1
Gill, P.M.W.2
Pople, J.A.3
-
6
-
-
0000216001
-
-
Vosko, S.H., Wilk, L., and Nusair, M., 1980. Can. J. Phys., 98:1200–1200.
-
(1980)
Can. J. Phys.
, vol.98
, pp. 1200
-
-
Vosko, S.H.1
Wilk, L.2
Nusair, M.3
-
8
-
-
0345491105
-
-
Lee, C., Yang, W., and Parr, R.G., 1988. Phys. Rev. B, 37:785–785.
-
(1988)
Phys. Rev.B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
10
-
-
0038596731
-
-
Miehlich, B., Savin, A., Stoll, H., and Preuss, H., 1989. Chem. Phys. Lett., 157:200–200.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 200
-
-
Miehlich, B.1
Savin, A.2
Stoll, H.3
Preuss, H.4
-
15
-
-
0003990718
-
-
Cambridge, UK
-
Amos, R.D., Alberts, I.L., Andrews, J.S., Colwell, S.M., Handy, N.C., Jayatilaka, D., Knowles, P.J., Kobayashi, R., Laming, G.J., Lee, A.M., Maslen, P.E., Murray, C.W., Palmieri, P., Rice, J.E., Simandiras, E.D., Stone, A.J., Su, M.-D., and Tozer, D.J., 1995. CADPAC6.0, The Cambridge Analytic Derivatives Package Cambridge, UK
-
(1995)
CADPAC6.0, 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
-
16
-
-
85005723006
-
-
Handy, N.C., Tozer, D.J., Laming, G.J., Murray, C.W., and Amos, R.D., 1994. Israel J. Chem., 33:331–331.
-
(1994)
Israel J. Chem.
, vol.33
, pp. 331
-
-
Handy, N.C.1
Tozer, D.J.2
Laming, G.J.3
Murray, C.W.4
Amos, R.D.5
-
18
-
-
84947139439
-
-
Murray, C.W., Handy, N.C., and Laming, G.J., 1993. Molec. Phys., 78:997–997.
-
(1993)
Molec. Phys.
, vol.78
, pp. 997
-
-
Murray, C.W.1
Handy, N.C.2
Laming, G.J.3
-
20
-
-
84872804460
-
-
Pittsburgh, PA: Gaussian Inc
-
Frisch, M.J., Trucks, G.W., Head-Gordon, M., Gill, P.M.W., Wong, 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., Gonzales, C., Martin, R.L., Fox, D.J., DeFrees, D.J., Baker, J., Stewart, J.J.P., and Pople, J.A., 1992. Gaussian 92, Pittsburgh, PA:Gaussian Inc.
-
(1992)
Gaussian 92
-
-
Frisch, M.J.1
Trucks, G.W.2
Head-Gordon, M.3
Gill, P.M.W.4
Wong, M.W.5
Foresman, J.B.6
Johnson, B.G.7
Schlegel, H.B.8
Robb, M.A.9
Replogle, E.S.10
Gomperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzales, 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..
-
21
-
-
5944242677
-
-
Werner, H.-J., and Knowles, P. J., 1985, J. chem. Phys., 82, 5053
-
Knowles, P.J., and Werner, H.-J., 1985. Chem. Phys. Lett., 115:259–259. Werner, H.-J., and Knowles, P. J., 1985, J. chem. Phys., 82, 5053.
-
(1985)
Chem. Phys. Lett.
, vol.115
, pp. 259
-
-
Knowles, P.J.1
Werner, H.-J.2
-
22
-
-
4243539377
-
-
Treutler, O., and Ahlrichs, R., 1995, J. chem. Phys., 102, 346
-
Ahlrichs, R., Bär, M., Häser, M., Horn, H., and Kölmel, C., 1989. Chem. Phys. Lett., 162:165–165. Treutler, O., and Ahlrichs, R., 1995, J. chem. Phys., 102, 346.
-
(1989)
Chem. Phys. Lett.
, vol.162
, pp. 165
-
-
Ahlrichs, R.1
Bär, M.2
Häser, M.3
Horn, H.4
Kölmel, C.5
-
23
-
-
0041401966
-
-
Curtiss, L.A., Raghavachari, K., Trucks, G.W., and Pople, J.A., 1991. J. chem. Phys., 94:7221–7221.
-
(1991)
J. chem. Phys.
, vol.94
, pp. 7221
-
-
Curtiss, L.A.1
Raghavachari, K.2
Trucks, G.W.3
Pople, J.A.4
-
26
-
-
26844534384
-
-
Krishnan, R., Binkley, J.S., Seeger, R., and Pople, J.A., 1980. J. chem. Phys., 72:650–650.
-
(1980)
J. chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
29
-
-
0001987985
-
-
McDowell, S., Handy, N.C., and Amos, R.D., 1995. Chem. Phys. Lett., 235:1–1.
-
(1995)
Chem. Phys. Lett.
, vol.235
, pp. 1
-
-
McDowell, S.1
Handy, N.C.2
Amos, R.D.3
-
30
-
-
0000617607
-
-
Colwell, S.M., Murray, C.W., Handy, N.C., and Amos, R.D., 1993. Chem. Phys. Lett., 210:261–261.
-
(1993)
Chem. Phys. Lett.
, vol.210
, pp. 261
-
-
Colwell, S.M.1
Murray, C.W.2
Handy, N.C.3
Amos, R.D.4
-
31
-
-
24544463188
-
-
Levy, M., Perdew, J.P., and Sahni, V., 1984. Phys. Rev. A, 30:2745–2745.
-
(1984)
Phys. Rev.A
, vol.30
, pp. 2745
-
-
Levy, M.1
Perdew, J.P.2
Sahni, V.3
-
33
-
-
0001132752
-
-
Perdew, J.P., Parr, R.G., Levy, M., and Balduz, J.L., 1982. Phys. Rev. Lett., 49:1691–1691.
-
(1982)
Phys. Rev. Lett.
, vol.49
, pp. 1691
-
-
Perdew, J.P.1
Parr, R.G.2
Levy, M.3
Balduz, J.L.4
-
36
-
-
0042047938
-
-
Laming, G.J., Handy, N.C., and Miller, W.H., 1995. J. phys. Chem., 99:1880–1880.
-
(1995)
J. phys. Chem.
, vol.99
, pp. 1880
-
-
Laming, G.J.1
Handy, N.C.2
Miller, W.H.3
-
39
-
-
0001447932
-
-
Gill, P.M.W., Johnson, B.G., and Pople, J.A., 1993. Chem. Phys. Lett., 209:506–506.
-
(1993)
Chem. Phys. Lett.
, vol.209
, pp. 506
-
-
Gill, P.M.W.1
Johnson, B.G.2
Pople, J.A.3
-
41
-
-
0008964930
-
-
Martin, J.M.L., Lee, T.J., and Taylor, P.R., 1993. J. molec. Spectrosc., 160:105–105.
-
(1993)
J. molec. Spectrosc.
, vol.160
, pp. 105
-
-
Martin, J.M.L.1
Lee, T.J.2
Taylor, P.R.3
-
43
-
-
0000467832
-
-
Laming, G.J., Termath, V., and Handy, N.C., 1993. J. chem. Phys., 99:8765–8765.
-
(1993)
J. chem. Phys.
, vol.99
, pp. 8765
-
-
Laming, G.J.1
Termath, V.2
Handy, N.C.3
-
44
-
-
36549094943
-
-
Pople, J.A., Head-Gordon, M., Fox, D.J., Raghavachari, K., and Curtiss, L.A., 1989. J. chem. Phys., 90:5622–5622.
-
(1989)
J. chem. Phys.
, vol.90
, pp. 5622
-
-
Pople, J.A.1
Head-Gordon, M.2
Fox, D.J.3
Raghavachari, K.4
Curtiss, L.A.5
-
46
-
-
84987084579
-
-
(b) Cheung, L. M., Sundberg, K. R., and Ruedenberg, K., 1979, Int. J. Quantum Chem., 16, 1103
-
Ruedenberg, K., Cheung, L.M., and Elbert, S.T., 1979. Int. J. Quantum Chem., 16:1069–1069. (b) Cheung, L. M., Sundberg, K. R., and Ruedenberg, K., 1979, Int. J. Quantum Chem., 16, 1103.
-
(1979)
Int. J. Quantum Chem.
, vol.16
, pp. 1069
-
-
Ruedenberg, K.1
Cheung, L.M.2
Elbert, S.T.3
-
47
-
-
84986533756
-
-
Pepper, M.J.M., Shavitt, I., von Rague-Schleyer, P., Glukhovtsev, M.N., Janoschek, R., and Quack, M., 1995. J. comput. Chem., 16:207–207.
-
(1995)
J. comput. Chem.
, vol.16
, pp. 207
-
-
Pepper, M.J.M.1
Shavitt, I.2
von Rague-Schleyer, P.3
Glukhovtsev, M.N.4
Janoschek, R.5
Quack, M.6
|