-
3
-
-
84986444438
-
-
J. A. Pople, J. S. Binkley and R. Seeger, Int. J. Quantum Chem. Symp., 1976, 10, 1.
-
(1976)
Int. J. Quantum Chem. Symp.
, vol.10
, pp. 1
-
-
Pople, J.A.1
Binkley, J.S.2
Seeger, R.3
-
9
-
-
0000441613
-
-
R. Steckler, D. W. Schwenke, F. B. Brown and D. G. Truhlar, Chem. Phys. Lett., 1985, 121, 475.
-
(1985)
Chem. Phys. Lett.
, vol.121
, pp. 475
-
-
Steckler, R.1
Schwenke, D.W.2
Brown, F.B.3
Truhlar, D.G.4
-
12
-
-
0001372389
-
-
M. S. Gordon, K. A. Nguyen and D. G. Truhlar, J. Phys. Chem., 1989, 93, 7356.
-
(1989)
J. Phys. Chem.
, vol.93
, pp. 7356
-
-
Gordon, M.S.1
Nguyen, K.A.2
Truhlar, D.G.3
-
13
-
-
4243448323
-
-
P. E. M. Siegbahn, M. R. A. Blomberg and M. Svensson, Chem. Phys. Lett., 1994, 223, 5.
-
(1994)
Chem. Phys. Lett.
, vol.223
, pp. 5
-
-
Siegbahn, P.E.M.1
Blomberg, M.R.A.2
Svensson, M.3
-
16
-
-
0001360843
-
-
P. L. Fast, J. C. Corchado, M. L. Sánchez and D. G. Truhlar, J. Phys. Chem. A, 1999, 103, 3139.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 3139
-
-
Fast, P.L.1
Corchado, J.C.2
Sánchez, M.L.3
Truhlar, D.G.4
-
18
-
-
0001360843
-
-
P. L. Fast, J. C. Corchado, M. L. Sánchez and D. G. Truhlar, J. Phys. Chem. A, 1999, 103, 5129.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 5129
-
-
Fast, P.L.1
Corchado, J.C.2
Sánchez, M.L.3
Truhlar, D.G.4
-
19
-
-
0001577710
-
-
P. Ho, M. E. Coltrin, J. S. Binkley and C. F. Melius, J. Phys. Chem., 1986, 90, 3399.
-
(1986)
J. Phys. Chem.
, vol.90
, pp. 3399
-
-
Ho, P.1
Coltrin, M.E.2
Binkley, J.S.3
Melius, C.F.4
-
22
-
-
0012154673
-
-
L. A. Curtiss, K. Raghavachari, P. C. Redfern, V. Rassolov and J. A. Pople, J. Chem. Phys., 1988, 109, 7764.
-
(1988)
J. Chem. Phys.
, vol.109
, pp. 7764
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Rassolov, V.4
Pople, J.A.5
-
24
-
-
0000237719
-
-
P. L. Fast, M. L. Sánchez, J. C. Corchado and D. G. Truhlar, J. Chem. Phys., 1999, 110, 11679.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 11679
-
-
Fast, P.L.1
Sánchez, M.L.2
Corchado, J.C.3
Truhlar, D.G.4
-
25
-
-
0001317989
-
-
P. L. Fast, M. L. Sánchez and D. G. Truhlar, Chem. Phys. Lett., 1999, 306, 407.
-
(1999)
Chem. Phys. Lett.
, vol.306
, pp. 407
-
-
Fast, P.L.1
Sánchez, M.L.2
Truhlar, D.G.3
-
29
-
-
0038269037
-
-
J. W. Ochterski, G. A. Petersson and J. A. Montgomery, Jr., J. Chem. Phys., 1996, 104, 2598.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 2598
-
-
Ochterski, J.W.1
Petersson, G.A.2
Montgomery Jr., J.A.3
-
32
-
-
0000724478
-
-
T. Helgaker, W. Klopper, H. Koch and J. Noga, J. Chem. Phys., 1997, 106, 9639.
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 9639
-
-
Helgaker, T.1
Klopper, W.2
Koch, H.3
Noga, J.4
-
33
-
-
0032502389
-
-
A. Halkier, T. Helgaker, P. Jørgensen, W. Klopper, H. Koch, J. Olsen and A. K. Wilson, Chem. Phys. Lett., 1998, 286, 243.
-
(1998)
Chem. Phys. Lett.
, vol.286
, pp. 243
-
-
Halkier, A.1
Helgaker, T.2
Jørgensen, P.3
Klopper, W.4
Koch, H.5
Olsen, J.6
Wilson, A.K.7
-
35
-
-
5044245898
-
-
P. L. Fast, M. L. Sánchez and D. G. Truhlar, J. Chem. Phys., 1999, 111, 2921.
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 2921
-
-
Fast, P.L.1
Sánchez, M.L.2
Truhlar, D.G.3
-
36
-
-
0000340764
-
-
J. A. Montgomery, M. J. Frisch, J. W. Ochterski and G. A. Petersson, J. Chem. Phys., 1999, 110, 2822.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 2822
-
-
Montgomery, J.A.1
Frisch, M.J.2
Ochterski, J.W.3
Petersson, G.A.4
-
39
-
-
4143095330
-
-
R. A. Kendall, T. H. Dunning, Jr., J. Chem. Phys., 1992, 96, 6796.
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning Jr., T.H.2
-
45
-
-
0001163428
-
-
G. S. Kedziora, J. A. Pople, V. A. Rassolov, M. A. Ratner, P. C. Redfern and L. A. Curtiss, J. Chem. Phys., 1999, 110, 7123.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 7123
-
-
Kedziora, G.S.1
Pople, J.A.2
Rassolov, V.A.3
Ratner, M.A.4
Redfern, P.C.5
Curtiss, L.A.6
-
46
-
-
84873055189
-
-
Wiley, New York
-
W. J. Hehre, L. Radom, P.v.R. Schleyer and J. A. Pople, Ab Initio Molecular Orbital Theory, Wiley, New York, 1986.
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.V.R.3
Pople, J.A.4
-
47
-
-
0001586585
-
-
L. A. Curtiss, P. C. Redfern, K. Raghavachari, V. Rassolov and J. A. Pople, J. Chem. Phys., 1999, 110, 4703.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 4703
-
-
Curtiss, L.A.1
Redfern, P.C.2
Raghavachari, K.3
Rassolov, V.4
Pople, J.A.5
-
48
-
-
84987097935
-
-
J. A. Pople, R. Krishnan, H. B. Schlegel and J. S. Binkley, Int. J. Quantum Chem. Symp., 1978, 14, 545.
-
(1978)
Int. J. Quantum Chem. Symp.
, vol.14
, pp. 545
-
-
Pople, J.A.1
Krishnan, R.2
Schlegel, H.B.3
Binkley, J.S.4
-
51
-
-
0006244148
-
-
K. Raghavachari, G. W. Trucks, J. A. Pople and M. Head-Gordon, Chem. Phys. Lett., 1989, 157, 479.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
52
-
-
0011682081
-
-
J. A. Pople, M. Head-Gordon and K. Raghavachari, J. Chem. Phys., 1987, 87, 5968.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 5968
-
-
Pople, J.A.1
Head-Gordon, M.2
Raghavachari, K.3
-
53
-
-
0032558947
-
-
G. A. Petersson, D. K. Malick, W. G. Wilson, J. W. Ochterski, J. A. Montgomery, Jr. and M. J. Frisch, J. Chem. Phys., 1998, 109, 10570.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 10570
-
-
Petersson, G.A.1
Malick, D.K.2
Wilson, W.G.3
Ochterski, J.W.4
Montgomery Jr., J.A.5
Frisch, M.J.6
-
54
-
-
1142296589
-
-
J. W. Ochterski, G. A. Petersson and K. B. Wiberg, J. Am. Chem. Soc., 1995, 117, 11299.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 11299
-
-
Ochterski, J.W.1
Petersson, G.A.2
Wiberg, K.B.3
|