-
2
-
-
0141696035
-
-
and references therein
-
A. Papakondylis, A. Mavridis, and A. Metropoulos, J. Phys. Chem. 99, 10759 (1995), and references therein.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 10759
-
-
Papakondylis, A.1
Mavridis, A.2
Metropoulos, A.3
-
3
-
-
5244363754
-
-
J. A. Montgomery Jr., G. A. Petersson, M. A. Al-Laham, and J. Mantzaris, Chem. Phys. Lett. 169, 497 (1990).
-
(1990)
Chem. Phys. Lett.
, vol.169
, pp. 497
-
-
Montgomery Jr., J.A.1
Petersson, G.A.2
Al-Laham, M.A.3
Mantzaris, J.4
-
4
-
-
0000269427
-
-
E. Arunan, C. P. Liu, D. W. Setser, J. W. Gilbert, and R. D. Coombe, J. Phys. Chem. 98, 494 (1994).
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 494
-
-
Arunan, E.1
Liu, C.P.2
Setser, D.W.3
Gilbert, J.W.4
Coombe, R.D.5
-
7
-
-
51149213129
-
-
P. A. G. O'Hare and A. C. Wahl, J. Chem. Phys. 54, 4563 (1971); P. A. G. O'Hare, ibid. 59, 3842 (1973).
-
(1973)
J. Chem. Phys.
, vol.59
, pp. 3842
-
-
O'Hare, P.A.G.1
-
8
-
-
5244240133
-
-
M. W. Chase Jr., C. A. Davies, J. R. Downey Jr., D. J. Frurip, R. A. McDonald, and A. N. Syverud, J. Phys. Chem. Ref. Data 11, Suppl. 1 (1985).
-
(1985)
J. Phys. Chem. Ref. Data
, vol.11
, Issue.1 SUPPL.
-
-
Chase Jr., M.W.1
Davies, C.A.2
Downey Jr., J.R.3
Frurip, D.J.4
McDonald, R.A.5
Syverud, A.N.6
-
12
-
-
36549094943
-
-
J. A. Pople, M. Head-Gordon, D. J. Fox, K. Raghavachari, and L. A. Curtiss, J. Chem. Phys. 90, 5622 (1989); L. A. Curtiss, K. Raghavachari, G. W. Trucks, and J. A. Pople, ibid. 94, 7221 (1991).
-
(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
-
13
-
-
0041401966
-
-
J. A. Pople, M. Head-Gordon, D. J. Fox, K. Raghavachari, and L. A. Curtiss, J. Chem. Phys. 90, 5622 (1989); L. A. Curtiss, K. Raghavachari, G. W. Trucks, and J. A. Pople, ibid. 94, 7221 (1991).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 7221
-
-
Curtiss, L.A.1
Raghavachari, K.2
Trucks, G.W.3
Pople, J.A.4
-
15
-
-
0011646297
-
-
A. E. Douglas and W. E. Jones, Can. J. Phys. 44, 2251 (1966); W. E. Jones, ibid. 45, 21 (1967).
-
(1967)
Can. J. Phys.
, vol.45
, pp. 21
-
-
Jones, W.E.1
-
22
-
-
0001125099
-
-
C. Yamada, Y. Endo, and E. Hirota, J. Chem. Phys. 79, 4159 (1983); C. Yamada, Y. Endo, and E. Hirota, J. Mol. Spectrosc. 117, 105 (1986); 117, 134 (1986).
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 4159
-
-
Yamada, C.1
Endo, Y.2
Hirota, E.3
-
23
-
-
0037863337
-
-
C. Yamada, Y. Endo, and E. Hirota, J. Chem. Phys. 79, 4159 (1983); C. Yamada, Y. Endo, and E. Hirota, J. Mol. Spectrosc. 117, 105 (1986); 117, 134 (1986).
-
(1986)
J. Mol. Spectrosc.
, vol.117
, pp. 105
-
-
Yamada, C.1
Endo, Y.2
Hirota, E.3
-
24
-
-
0011692197
-
-
C. Yamada, Y. Endo, and E. Hirota, J. Chem. Phys. 79, 4159 (1983); C. Yamada, Y. Endo, and E. Hirota, J. Mol. Spectrosc. 117, 105 (1986); 117, 134 (1986).
-
(1986)
J. Mol. Spectrosc.
, vol.117
, pp. 134
-
-
-
25
-
-
24444434383
-
-
H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988); H.-J. Werner and E. A. Reinsch, J. Chem. Phys. 76, 3144 (1982); H.-J. Werner, Adv. Chem. Phys. LXIX, 1 (1987).
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 5803
-
-
Werner, H.-J.1
Knowles, P.J.2
-
26
-
-
11744301188
-
-
H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988); H.-J. Werner and E. A. Reinsch, J. Chem. Phys. 76, 3144 (1982); H.-J. Werner, Adv. Chem. Phys. LXIX, 1 (1987).
-
(1988)
Chem. Phys. Lett.
, vol.145
, pp. 514
-
-
Knowles, P.J.1
Werner, H.-J.2
-
27
-
-
36749109134
-
-
H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988); H.-J. Werner and E. A. Reinsch, J. Chem. Phys. 76, 3144 (1982); H.-J. Werner, Adv. Chem. Phys. LXIX, 1 (1987).
-
(1982)
J. Chem. Phys.
, vol.76
, pp. 3144
-
-
Werner, H.-J.1
Reinsch, E.A.2
-
28
-
-
24444434383
-
-
H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988); H.-J. Werner and E. A. Reinsch, J. Chem. Phys. 76, 3144 (1982); H.-J. Werner, Adv. Chem. Phys. LXIX, 1 (1987).
-
(1987)
Adv. Chem. Phys.
, vol.69
, pp. 1
-
-
Werner, H.-J.1
-
30
-
-
4143095330
-
-
(b) R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, ibid. 96, 6796 (1992);
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
Harrison, R.J.3
-
36
-
-
36449000060
-
-
(a) K. A. Peterson, R. A. Kendall, and T. H. Dunning, Jr., J. Chem. Phys. 99, 1930 (1993);
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 1930
-
-
Peterson, K.A.1
Kendall, R.A.2
Dunning Jr., T.H.3
-
41
-
-
5244292419
-
-
note
-
The fitting was performed using a program written by K. A. Peterson.
-
-
-
-
42
-
-
36449001370
-
-
MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A. J. Stone, P. R. Taylor, R. Lindh, M. E. Mura, and T. Thorsteinsson. For the RCCSD(T) implementation in MOLPRO see P. J. Knowles, C. Hampel and H.-J. Werner, J. Chem. Phys. 99, 5219 (1993).
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 5219
-
-
Knowles, P.J.1
Hampel, C.2
Werner, H.-J.3
-
45
-
-
0344628184
-
-
R. J. Gdanitz and R. Ahlrichs, Chem. Phys. Lett. 143, 413 (1988); R. J. Cave and E. R. Davidson, J. Chem. Phys. 89, 6798 (1988); P. G. Szalay and R. J. Bartlett, Chem. Phys. Lett. 214, 481 (1993); H.-J. Werner and P. J. Knowles, Theor. Chim Acta 78, 175 (1990).
-
(1988)
Chem. Phys. Lett.
, vol.143
, pp. 413
-
-
Gdanitz, R.J.1
Ahlrichs, R.2
-
46
-
-
0000853891
-
-
R. J. Gdanitz and R. Ahlrichs, Chem. Phys. Lett. 143, 413 (1988); R. J. Cave and E. R. Davidson, J. Chem. Phys. 89, 6798 (1988); P. G. Szalay and R. J. Bartlett, Chem. Phys. Lett. 214, 481 (1993); H.-J. Werner and P. J. Knowles, Theor. Chim Acta 78, 175 (1990).
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 6798
-
-
Cave, R.J.1
Davidson, E.R.2
-
47
-
-
3343000028
-
-
R. J. Gdanitz and R. Ahlrichs, Chem. Phys. Lett. 143, 413 (1988); R. J. Cave and E. R. Davidson, J. Chem. Phys. 89, 6798 (1988); P. G. Szalay and R. J. Bartlett, Chem. Phys. Lett. 214, 481 (1993); H.-J. Werner and P. J. Knowles, Theor. Chim Acta 78, 175 (1990).
-
(1993)
Chem. Phys. Lett.
, vol.214
, pp. 481
-
-
Szalay, P.G.1
Bartlett, R.J.2
-
48
-
-
21544470104
-
-
R. J. Gdanitz and R. Ahlrichs, Chem. Phys. Lett. 143, 413 (1988); R. J. Cave and E. R. Davidson, J. Chem. Phys. 89, 6798 (1988); P. G. Szalay and R. J. Bartlett, Chem. Phys. Lett. 214, 481 (1993); H.-J. Werner and P. J. Knowles, Theor. Chim Acta 78, 175 (1990).
-
(1990)
Theor. Chim Acta
, vol.78
, pp. 175
-
-
Werner, H.-J.1
Knowles, P.J.2
-
49
-
-
0003083256
-
-
D. E. Woon, Chem. Phys. Lett. 204, 29 (1993); J. Chem. Phys. 100, 2838 (1994); K. A. Peterson, ibid. 102, 262 (1995).
-
(1993)
Chem. Phys. Lett.
, vol.204
, pp. 29
-
-
Woon, D.E.1
-
50
-
-
36449001659
-
-
D. E. Woon, Chem. Phys. Lett. 204, 29 (1993); J. Chem. Phys. 100, 2838 (1994); K. A. Peterson, ibid. 102, 262 (1995).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 2838
-
-
-
51
-
-
36449002588
-
-
D. E. Woon, Chem. Phys. Lett. 204, 29 (1993); J. Chem. Phys. 100, 2838 (1994); K. A. Peterson, ibid. 102, 262 (1995).
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 262
-
-
Peterson, K.A.1
-
53
-
-
0347007668
-
-
D. Feller, J. Chem. Phys. 96, 6104 (1992); D. Feller, E. D. Glendening, R. A. Kendall, and K. A. Peterson, ibid. 100, 4981 (1994); M. W. Feyereisen, D. Feller, and D. A. Dixon, J. Phys. Chem. 100, 2993 (1996).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6104
-
-
Feller, D.1
-
54
-
-
36449009665
-
-
D. Feller, J. Chem. Phys. 96, 6104 (1992); D. Feller, E. D. Glendening, R. A. Kendall, and K. A. Peterson, ibid. 100, 4981 (1994); M. W. Feyereisen, D. Feller, and D. A. Dixon, J. Phys. Chem. 100, 2993 (1996).
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 4981
-
-
Feller, D.1
Glendening, E.D.2
Kendall, R.A.3
Peterson, K.A.4
-
55
-
-
0030079225
-
-
D. Feller, J. Chem. Phys. 96, 6104 (1992); D. Feller, E. D. Glendening, R. A. Kendall, and K. A. Peterson, ibid. 100, 4981 (1994); M. W. Feyereisen, D. Feller, and D. A. Dixon, J. Phys. Chem. 100, 2993 (1996).
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 2993
-
-
Feyereisen, M.W.1
Feller, D.2
Dixon, D.A.3
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