-
1
-
-
0001736439
-
-
Srinivas, R.; Sülzle, D.; Koch, W.; DePuy, C.H.; Schwarz, H. J. Am. Chem. Soc. 1991, 113, 5970.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 5970
-
-
Srinivas, R.1
Sülzle, D.2
Koch, W.3
Depuy, C.H.4
Schwarz, H.5
-
2
-
-
0030782163
-
-
Izuha, M.; Yamamoto, S.; Saito, S. J. Mol. Struct. 1997, 413-414, 527.
-
(1997)
J. Mol. Struct.
, vol.413-414
, pp. 527
-
-
Izuha, M.1
Yamamoto, S.2
Saito, S.3
-
3
-
-
0001270160
-
-
van Zee, R.J.; Ferrante, R.F.; Weltner, W. J. Chem. Phys. 1985, 83, 6181.
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 6181
-
-
Van Zee, R.J.1
Ferrante, R.F.2
Weltner, W.3
-
4
-
-
0001009350
-
-
Bruna, P.J.; Buenker, R.J.; Peyerimhoff, S.D. J. Mol. Struct. 1976, 32, 217.
-
(1976)
J. Mol. Struct.
, vol.32
, pp. 217
-
-
Bruna, P.J.1
Buenker, R.J.2
Peyerimhoff, S.D.3
-
10
-
-
0000856910
-
-
Yamaguchi, Y.; Xie, Y.; Kim, S.-J.; Schaefer, H.F. J. Chem. Phys. 1996, 105, 1951.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 1951
-
-
Yamaguchi, Y.1
Xie, Y.2
Kim, S.-J.3
Schaefer, H.F.4
-
11
-
-
36449006622
-
-
Watts, J.D.; Gauss, J.; Bartlett, R.J. J. Chem. Phys. 1993, 93, 8718.
-
(1993)
J. Chem. Phys.
, vol.93
, pp. 8718
-
-
Watts, J.D.1
Gauss, J.2
Bartlett, R.J.3
-
12
-
-
36449001370
-
-
Knowles, P.J.; Hampel, C.; Werner, H.-J. J. Chem. Phys. 1994, 99, 5219.
-
(1994)
J. Chem. Phys.
, vol.99
, pp. 5219
-
-
Knowles, P.J.1
Hampel, C.2
Werner, H.-J.3
-
13
-
-
0001361307
-
-
Knowles, P.J.; Hampel, C.; Werner, H.-J. J. Chem. Phys. 2000, 112, 3106.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 3106
-
-
Knowles, P.J.1
Hampel, C.2
Werner, H.-J.3
-
18
-
-
0012117472
-
-
note
-
MOLPRO 2000 is a package of ab initio programs written by Werner, H.-J.; Knowles, P.J. with contributions from Amos, R.D.; Bernhardsson, A.; Berning, A.; Celani, P.; Cooper, D.L.; Deegan, M.J.O.; Dobbyn, A.J.; Eckert, F.; Hampel, C.; Hetzer, G.; Korona, T.; Lindh, R.; Lloyd, A.W.; McNicholas, S.J.; Manby, F.R.; Meyer, W.; Mura, M.E.; Nicklass, A.; Palmieri, P.; Peterson, K.A.; Pitzer, R.; Rauhut, G.; Schütz, M.; Stoll, H.; Stone, A.J.; Tarroni, R.; Thorsteinsson, T.
-
-
-
-
20
-
-
0003820634
-
-
Bowman, J.M., Ed.; JAI Press: Greenwich, CT
-
Gaw, J.F.; Willetts, A.; Green, W.H.; Handy, N.C. In Advances in Molecular Vibrations and Collision Dynamics; Bowman, J.M., Ed.; JAI Press: Greenwich, CT, 1990.
-
(1990)
Advances in Molecular Vibrations and Collision Dynamics
-
-
Gaw, J.F.1
Willetts, A.2
Green, W.H.3
Handy, N.C.4
-
24
-
-
0034634827
-
-
Carter, S.; Handy, N.C.; Puzzarini, C.; Tarroni, R.; Palmieri, P. Mol. Phys. 2000, 98, 1697.
-
(2000)
Mol. Phys.
, vol.98
, pp. 1697
-
-
Carter, S.1
Handy, N.C.2
Puzzarini, C.3
Tarroni, R.4
Palmieri, P.5
-
25
-
-
0010408411
-
-
Peterson, K.A.; Woon, D.E.; Dunning, T.H., Jr. J. Chem. Phys. 1994, 100, 7410.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 7410
-
-
Peterson, K.A.1
Woon, D.E.2
Dunning T.H., Jr.3
-
26
-
-
4143095330
-
-
Kendall, R.A.; Dunning, T.H., Jr.; Harrison, R.J. J. Chem. Phys. 1992, 96, 6796.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning T.H., Jr.2
Harrison, R.J.3
-
27
-
-
33749420348
-
-
Hoy, A.R.; Mills, I.M.; Strey, G. Mol. Phys. 1972, 24, 1265.
-
(1972)
Mol. Phys.
, vol.24
, pp. 1265
-
-
Hoy, A.R.1
Mills, I.M.2
Strey, G.3
-
29
-
-
0000280664
-
-
Gronert, S.; O'Hair, R.A.J.; Prodnuk, S.; Sülzle, D.; Damrauer, R.; DePuy, C.H. J. Am. Chem. Soc. 1990, 112, 997.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 997
-
-
Gronert, S.1
O'Hair, R.A.J.2
Prodnuk, S.3
Sülzle, D.4
Damrauer, R.5
DePuy, C.H.6
-
30
-
-
0000820634
-
-
Simons, G.; Parr, R.G.; Finlan, J.M. J. Chem. Phys. 1973, 59, 3229.
-
(1973)
J. Chem. Phys.
, vol.59
, pp. 3229
-
-
Simons, G.1
Parr, R.G.2
Finlan, J.M.3
-
31
-
-
0012156863
-
-
note
-
The optimized values of the parameters can be obtained upon request from the author.
-
-
-
-
35
-
-
0001177596
-
-
Roos, B.O.; Taylor, P.R.; Siegbahn, P.E.M. Chem. Phys. 1980, 48, 157.
-
(1980)
Chem. Phys.
, vol.48
, pp. 157
-
-
Roos, B.O.1
Taylor, P.R.2
Siegbahn, P.E.M.3
|