-
1
-
-
4244203058
-
-
GUILHAUS, M., BRENTON, A. G., BEYNON, J. H., RABREBOVI, M., and VON RAGUÉ SCHLEYER, P., 1984, J. Phys. B, 17, L605; BELKACEM, A., KANTER, E. P., MITCHELL, R. E., VAGER, Z., and ZABRANSKY, B. J., 1989, Phys. Rev. Lett., 63, 2555.
-
(1984)
J. Phys. B
, vol.17
-
-
Guilhaus, M.1
Brenton, A.G.2
Beynon, J.H.3
Rabrebovi, M.4
Von Ragué Schleyer, P.5
-
2
-
-
3843099235
-
-
GUILHAUS, M., BRENTON, A. G., BEYNON, J. H., RABREBOVI, M., and VON RAGUÉ SCHLEYER, P., 1984, J. Phys. B, 17, L605; BELKACEM, A., KANTER, E. P., MITCHELL, R. E., VAGER, Z., and ZABRANSKY, B. J., 1989, Phys. Rev. Lett., 63, 2555.
-
(1989)
Phys. Rev. Lett.
, vol.63
, pp. 2555
-
-
Belkacem, A.1
Kanter, E.P.2
Mitchell, R.E.3
Vager, Z.4
Zabransky, B.J.5
-
3
-
-
0002710631
-
-
PAULING, L., 1933, J. chem. Phys., 1, 56; YAGISAWA, H., SATO, H., and WANATABE, 1977, Phys. Rev. A, 16, 1352; METROPOULOS, A., NICOLAIDES, C. A., and BUNKER, R. J., 1987, Chem. Phys., 114, 1.
-
(1933)
J. Chem. Phys.
, vol.1
, pp. 56
-
-
Pauling, L.1
-
4
-
-
0000225303
-
-
PAULING, L., 1933, J. chem. Phys., 1, 56; YAGISAWA, H., SATO, H., and WANATABE, 1977, Phys. Rev. A, 16, 1352; METROPOULOS, A., NICOLAIDES, C. A., and BUNKER, R. J., 1987, Chem. Phys., 114, 1.
-
(1977)
Phys. Rev. A
, vol.16
, pp. 1352
-
-
Yagisawa, H.1
Sato, H.2
Wanatabe3
-
5
-
-
0011766990
-
-
PAULING, L., 1933, J. chem. Phys., 1, 56; YAGISAWA, H., SATO, H., and WANATABE, 1977, Phys. Rev. A, 16, 1352; METROPOULOS, A., NICOLAIDES, C. A., and BUNKER, R. J., 1987, Chem. Phys., 114, 1.
-
(1987)
Chem. Phys.
, vol.114
, pp. 1
-
-
Metropoulos, A.1
Nicolaides, C.A.2
Bunker, R.J.3
-
6
-
-
84867527667
-
-
ACKERMANN, J., and HOGREVE, H., 1992, J. Phys. B, 25, 4069.
-
(1992)
J. Phys. B
, vol.25
, pp. 4069
-
-
Ackermann, J.1
Hogreve, H.2
-
9
-
-
26444474547
-
-
WOON, D. E., and DUNNING, JR., T. H., 1994, J. chem. Phys., 100, 2975.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 2975
-
-
Woon, D.E.1
Dunning Jr., T.H.2
-
10
-
-
4143095330
-
-
KENDALL, R. A., DUNNING, JR., T. H., and HARRISON, R. J., 1992, J. chem. Phys., 96, 6769.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6769
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
11
-
-
0003498748
-
-
HELGAKER, T., JENSEN, H. J. A., JOERGENSEN, P., OLSEN, J., RUUD, K., AAGREN, H., AUER, A. A., BAK, K. L., BAKKEN, V., CHRISTIANSEN, O., CORIANI, S., DAHLE, P., DALSKOV, E. K., ENEVOLDSEN, T., FERNANDEZ, B., HAETTIG, C., HALD, K., HALKIER, A., HEIBERG, H., HETTEMA, H., JONSSON, D., KIRPEKAR, S., KOBAYASHI, R., KOCH, H., MIKKELSEN, K. V., NORMAN, P., PACKER, M. J., PEDERSEN, T. B., RUDEN, T. A., SANCHEZ, A., SAUE, T., SAUER, S. P. A., SCHIMMELPFENNIG, B., SYLVESTER-HVID, K. O., TAYLOR, P. R., and VAHTRAS, O., 2002, DALTON, a molecular electronic structure program, Release 1.2.
-
(2002)
DALTON, A Molecular Electronic Structure Program, Release 1.2
-
-
Helgaker, T.1
Jensen, H.J.A.2
Joergensen, P.3
Olsen, J.4
Ruud, K.5
Aagren, H.6
Auer, A.A.7
Bak, K.L.8
Bakken, V.9
Christiansen, O.10
Coriani, S.11
Dahle, P.12
Dalskov, E.K.13
Enevoldsen, T.14
Fernandez, B.15
Haettig, C.16
Hald, K.17
Halkier, A.18
Heiberg, H.19
Hettema, H.20
Jonsson, D.21
Kirpekar, S.22
Kobayashi, R.23
Koch, H.24
Mikkelsen, K.V.25
Norman, P.26
Packer, M.J.27
Pedersen, T.B.28
Ruden, T.A.29
Sanchez, A.30
Saue, T.31
Sauer, S.P.A.32
Schimmelpfennig, B.33
Sylvester-Hvid, K.O.34
Taylor, P.R.35
Vahtras, O.36
more..
-
12
-
-
3042718230
-
-
GUEST, M. F., KENDRICK, J., VAN LENTHE, J. H., and SHERWOOD, P., 2002, GAMESS-UK, program, Release 5.3.
-
(2002)
GAMESS-UK, Program, Release 5.3
-
-
Guest, M.F.1
Kendrick, J.2
Van Lenthe, J.H.3
Sherwood, P.4
-
15
-
-
0000410054
-
-
LANGHOFF, S. R., and DAVIDSON, E. R., 1973, Int. J. quantum Chem., 1, 999; BARTLETT, R. J., and SHAVITT, I., 1977, Int. J. quantum Chem., S11, 165; PRIME, S., REES, C., and ROBB, M. A., 1981, Molec. Phys., 44, 173; JANKOWSKI, K., MEISSNER, L., and WASILEWSKI, J., 1985, Int. J. quantum Chem., 28, 931.
-
(1973)
Int. J. Quantum Chem.
, vol.1
, pp. 999
-
-
Langhoff, S.R.1
Davidson, E.R.2
-
16
-
-
84987097976
-
-
LANGHOFF, S. R., and DAVIDSON, E. R., 1973, Int. J. quantum Chem., 1, 999; BARTLETT, R. J., and SHAVITT, I., 1977, Int. J. quantum Chem., S11, 165; PRIME, S., REES, C., and ROBB, M. A., 1981, Molec. Phys., 44, 173; JANKOWSKI, K., MEISSNER, L., and WASILEWSKI, J., 1985, Int. J. quantum Chem., 28, 931.
-
(1977)
Int. J. Quantum Chem.
, vol.S11
, pp. 165
-
-
Bartlett, R.J.1
Shavitt, I.2
-
17
-
-
0007353131
-
-
LANGHOFF, S. R., and DAVIDSON, E. R., 1973, Int. J. quantum Chem., 1, 999; BARTLETT, R. J., and SHAVITT, I., 1977, Int. J. quantum Chem., S11, 165; PRIME, S., REES, C., and ROBB, M. A., 1981, Molec. Phys., 44, 173; JANKOWSKI, K., MEISSNER, L., and WASILEWSKI, J., 1985, Int. J. quantum Chem., 28, 931.
-
(1981)
Molec. Phys.
, vol.44
, pp. 173
-
-
Prime, S.1
Rees, C.2
Robb, M.A.3
-
18
-
-
84987057028
-
-
LANGHOFF, S. R., and DAVIDSON, E. R., 1973, Int. J. quantum Chem., 1, 999; BARTLETT, R. J., and SHAVITT, I., 1977, Int. J. quantum Chem., S11, 165; PRIME, S., REES, C., and ROBB, M. A., 1981, Molec. Phys., 44, 173; JANKOWSKI, K., MEISSNER, L., and WASILEWSKI, J., 1985, Int. J. quantum Chem., 28, 931.
-
(1985)
Int. J. Quantum Chem.
, vol.28
, pp. 931
-
-
Jankowski, K.1
Meissner, L.2
Wasilewski, J.3
-
20
-
-
0345491105
-
-
LEE, C., YANG, W., and PARR, R. G., 1988, Phys. Rev. B, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
23
-
-
5444235290
-
-
MASSE, J. L., and MASSE-BÄRLOCHER, M., 1967, J. chim. Phys. Physico-Chim. Biol, 64, 417.
-
(1967)
J. Chim. Phys. Physico-chim. Biol
, vol.64
, pp. 417
-
-
Masse, J.L.1
Masse-Bärlocher, M.2
-
24
-
-
84947379220
-
-
COOPER, D. L., and WILSON, S., 1981, Molec. Phys., 44, 161.
-
(1981)
Molec. Phys.
, vol.44
, pp. 161
-
-
Cooper, D.L.1
Wilson, S.2
-
25
-
-
4243636848
-
-
GILL, P. E. M., and RADOM. L., 1988, Chem. Phys. Lett., 147, 213.
-
(1988)
Chem. Phys. Lett.
, vol.147
, pp. 213
-
-
Gill, P.E.M.1
Radom, L.2
-
26
-
-
33845184852
-
-
FRENKING, G., KOCH, W., CREMER, D., GAUSS, J., and LIEBMAN, J. F., 1989, J. phys. Chem., 93, 3397.
-
(1989)
J. Phys. Chem.
, vol.93
, pp. 3397
-
-
Frenking, G.1
Koch, W.2
Cremer, D.3
Gauss, J.4
Liebman, J.F.5
-
27
-
-
3042790584
-
-
AVERYANOV, A. S., and KHAIT, Y. G., 1995, Opt. Spectrosc., 79, 548.
-
(1995)
Opt. Spectrosc.
, vol.79
, pp. 548
-
-
Averyanov, A.S.1
Khait, Y.G.2
-
28
-
-
44949272980
-
-
NOBES. R. H., MONCRIEFF, D., WONG, M. W., RADOM, L., GILL, P. M. W., and POPLE, J. A., 1991, Chem. Phys. Lett., 132, 216.
-
(1991)
Chem. Phys. Lett.
, vol.132
, pp. 216
-
-
Nobes, R.H.1
Moncrieff, D.2
Wong, M.W.3
Radom, L.4
Gill, P.M.W.5
Pople, J.A.6
-
29
-
-
36449006453
-
-
MURPHY, R. B., and MESSMER, R. P., 1991. J. chem. Phys., 97, 4170.
-
(1991)
J. Chem. Phys.
, vol.97
, pp. 4170
-
-
Murphy, R.B.1
Messmer, R.P.2
-
32
-
-
0003588966
-
-
New York: Van Nostrand
-
HUBER, K. L., and HERZBERG, G., 1979, Molecular Spectra and Molecular Structure, Vol. 4, Constants of Diatomic Molecules (New York: Van Nostrand).
-
(1979)
Molecular Spectra and Molecular Structure, Vol. 4, Constants of Diatomic Molecules
, vol.4
-
-
Huber, K.L.1
Herzberg, G.2
-
33
-
-
0011619239
-
-
LIEBMAN, J. F., and ALLEN, L. C., 1970, J. Am. chem. Soc., 92, 3539.
-
(1970)
J. Am. Chem. Soc.
, vol.92
, pp. 3539
-
-
Liebman, J.F.1
Allen, L.C.2
-
34
-
-
0011673191
-
-
AUGUSTIN, S. D., MILLER, W. H., PEARSON, P. K., and SCHAEFER III, H. F., 1973, J. chem. Phys., 58, 2845.
-
(1973)
J. Chem. Phys.
, vol.58
, pp. 2845
-
-
Augustin, S.D.1
Miller, W.H.2
Pearson, P.K.3
Schaefer III, H.F.4
-
35
-
-
24344477405
-
-
SIMPSON, R. W., McLAGAN, R. G. A. R., and HARLAND, P. W., 1987, J. chem. Phys., 87, 5419.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 5419
-
-
Simpson, R.W.1
McLagan, R.G.A.R.2
Harland, P.W.3
-
36
-
-
0141562184
-
-
PETROV, A. N., and PANIN, A. I., 2001, Opt. Spectrosc., 90, 367.
-
(2001)
Opt. Spectrosc.
, vol.90
, pp. 367
-
-
Petrov, A.N.1
Panin, A.I.2
-
38
-
-
0042434872
-
-
KOCH, W., FRENKING, G., GAUSS, J., CREMER, D., and COLLINS, J. R., 1987, J. Am. chem. Soc., 109, 5917.
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 5917
-
-
Koch, W.1
Frenking, G.2
Gauss, J.3
Cremer, D.4
Collins, J.R.5
-
39
-
-
0001573916
-
-
FRENKING, G., KOCH, W., REICHEL, F., and CREMER, D., 1989, J. Am. chem. Soc., 112, 4240.
-
(1989)
J. Am. Chem. Soc.
, vol.112
, pp. 4240
-
-
Frenking, G.1
Koch, W.2
Reichel, F.3
Cremer, D.4
-
40
-
-
3042790583
-
-
TULUB, A. V., PANIN, A. I., and KHAIT, Yu. G., 1998, Opt. Spectrosc., 84, 29.
-
(1998)
Opt. Spectrosc.
, vol.84
, pp. 29
-
-
Tulub, A.V.1
Panin, A.I.2
Khait, Yu.G.3
-
41
-
-
0001761176
-
-
BAUSCHLICHER, JR., C. W., PARTRIDGE, H., and CEPERLEY, D., 1989, Chem. Phys. Lett., 160, 183; ACKERMANN, J., and HOGREVE, H., 1991, Chem. Phys., 157, 75; CENCEK, W., and RYCHLEWSKI, J., 1995, J. chem. Phys., 102, 2533.
-
(1989)
Chem. Phys. Lett.
, vol.160
, pp. 183
-
-
Bauschlicher Jr., C.W.1
Partridge, H.2
Ceperley, D.3
-
42
-
-
0002067923
-
-
BAUSCHLICHER, JR., C. W., PARTRIDGE, H., and CEPERLEY, D., 1989, Chem. Phys. Lett., 160, 183; ACKERMANN, J., and HOGREVE, H., 1991, Chem. Phys., 157, 75; CENCEK, W., and RYCHLEWSKI, J., 1995, J. chem. Phys., 102, 2533.
-
(1991)
Chem. Phys.
, vol.157
, pp. 75
-
-
Ackermann, J.1
Hogreve, H.2
-
43
-
-
36449002375
-
-
BAUSCHLICHER, JR., C. W., PARTRIDGE, H., and CEPERLEY, D., 1989, Chem. Phys. Lett., 160, 183; ACKERMANN, J., and HOGREVE, H., 1991, Chem. Phys., 157, 75; CENCEK, W., and RYCHLEWSKI, J., 1995, J. chem. Phys., 102, 2533.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 2533
-
-
Cencek, W.1
Rychlewski, J.2
|