-
3
-
-
0000956941
-
-
T. N. Truong, D. G. Truhlar, K. K. Baldridge, M. S. Gordon, and R. Steckler, J. Chem. Phys. 90, 7137 (1989).
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 7137
-
-
Truong, T.N.1
Truhlar, D.G.2
Baldridge, K.K.3
Gordon, M.S.4
Steckler, R.5
-
6
-
-
0041401966
-
-
L. A. Curtiss, K. Raghavachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. 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
-
7
-
-
0000237719
-
-
P. L. Fast, M. L. Sánchez, J. C. Corchado, and D. G. Truhlar, J. Chem. Phys, 110, 11679 (1999).
-
(1999)
J. Chem. Phys
, vol.110
, pp. 11679
-
-
Fast, P.L.1
Sánchez, M.L.2
Corchado, J.C.3
Truhlar, D.G.4
-
8
-
-
0012154673
-
-
L. A. Curtiss, K. Raghavachari, P. C. Redfern, V. Rassolov, and J. A. Pople, J. Chem. Phys. 109, 7764 (1998).
-
(1998)
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
-
13
-
-
0001360843
-
-
P. L. Fast, J. C. Corchado, M. L. Sánchez, and D. G. Truhlar, J. Phys. Chem. A 103, 5129 (1999).
-
(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
-
16
-
-
0000391201
-
-
K. A. Peterson, S. S. Xantheas, D. A. Dixon, and T. H. Dunning, J. Phys. Chem. A 102, 2449 (1998).
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 2449
-
-
Peterson, K.A.1
Xantheas, S.S.2
Dixon, D.A.3
Dunning, T.H.4
-
17
-
-
0001360843
-
-
P. L. Fast, J. C. Corchado, M. L. Sánchez, and D. G. Truhlar, J. Phys. Chem. A 103, 3139 (1999).
-
(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
-
20
-
-
0000100968
-
-
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 Suppl. 14(S1), 1 (1985).
-
(1985)
J. Phys. Chem. Ref. Data Suppl.
, vol.14
, Issue.S1
, pp. 1
-
-
Chase M.W., Jr.1
Davies, C.A.2
Downey J.R., Jr.3
Frurip, D.J.4
McDonald, R.A.5
Syverud, A.N.6
-
21
-
-
0009690455
-
-
J. M. Bowman, B. Gazdy, J. A. Bentley, T. J. Lee, and C. E. Dateo, J. Chem. Phys. 99, 308 (1993).
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 308
-
-
Bowman, J.M.1
Gazdy, B.2
Bentley, J.A.3
Lee, T.J.4
Dateo, C.E.5
-
24
-
-
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
V R Schleyer, P.3
Pople, J.A.4
-
30
-
-
0003474751
-
-
Cambridge University Press, Cambridge
-
W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in FORTRAN77, 2nd ed. (Cambridge University Press, Cambridge, 1992), pp. 395 and 418.
-
(1992)
Numerical Recipes in FORTRAN77, 2nd Ed.
, pp. 395
-
-
Press, W.H.1
Teukolsky, S.A.2
Vetterling, W.T.3
Flannery, B.P.4
-
31
-
-
0003662632
-
-
Gaussian, Inc., Pittsburgh PA
-
GAUSSIAN98, Revision A. 7, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle and J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1998.
-
(1998)
GAUSSIAN98, Revision A. 7
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery, J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
32
-
-
0009015575
-
-
University of Minnesota
-
MULTILEVEL version 1.0, J. M. Rodgers, B. J. Lynch. P. L. Fast, Y.-Y. Chuang, and D. G. Truhlar, University of Minnesota, 1999 (http:// comp.chem.umn.edu/multilevel).
-
(1999)
MULTILEVEL Version 1.0
-
-
Rodgers, J.M.1
Lynch, B.J.2
Fast, P.L.3
Chuang, Y.-Y.4
Truhlar, D.G.5
|