-
2
-
-
0001374524
-
-
(a) K. V. Mikkelsen, P. Jörgensen, K. Ruud, and T. Helgaker, J. Chem. Phys. 106, 1170 (1997);
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 1170
-
-
Mikkelsen, K.V.1
Jörgensen, P.2
Ruud, K.3
Helgaker, T.4
-
5
-
-
0001439269
-
-
(b) J. F. Hinton, P. Guthrie, P. Pulay, and K. Wolinski, J. Am. Chem. Soc. 114, 1604 (1992);
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 1604
-
-
Hinton, J.F.1
Guthrie, P.2
Pulay, P.3
Wolinski, K.4
-
6
-
-
84891310599
-
-
V. G. Malkin, O. L. Malkina, G. Steinebrunner, and H. Huber, Chem.-Eur. J. 2, 452 (1996).
-
(1996)
Chem.-Eur. J.
, vol.2
, pp. 452
-
-
Malkin, V.G.1
Malkina, O.L.2
Steinebrunner, G.3
Huber, H.4
-
21
-
-
84962440518
-
-
(b) E. Cancès, B. Mennucci, and J. Tomasi, J. Chem. Phys., ibid. 109, 260 (1998).
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 260
-
-
Cancès, E.1
Mennucci, B.2
Tomasi, J.3
-
24
-
-
84962448857
-
-
(b) R. Cammi, M. Cossi, B. Mennucci, and J. Tomasi, J. Chem. Phys., ibid. 105, 10556 (1996).
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 10556
-
-
Cammi, R.1
Cossi, M.2
Mennucci, B.3
Tomasi, J.4
-
25
-
-
84962421219
-
-
See Ref. 12(c)
-
(a) See Ref. 12(c);
-
-
-
-
26
-
-
84962476304
-
-
(b) C. Amovilli, V. Barone, R. Cammi, E. Cancès, M. Cossi, B. Mennucci, C. S. Pomelli, and J. Tomasi, Adv. Quantum Chem. 32, 227 (1998).
-
(1998)
Adv. Quantum Chem.
, vol.32
, pp. 227
-
-
Amovilli, C.1
Barone, V.2
Cammi, R.3
Cancès, E.4
Cossi, M.5
Mennucci, B.6
Pomelli, C.S.7
Tomasi, J.8
-
27
-
-
1242268874
-
-
J. R. Cheeseman, G. W. Trucks, T. A. Keith, and M. J. Frish, J. Chem. Phys. 104, 5497 (1996).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 5497
-
-
Cheeseman, J.R.1
Trucks, G.W.2
Keith, T.A.3
Frish, M.J.4
-
30
-
-
0003912310
-
-
Gaussian, Inc., Pittsburgh, PA
-
GAUSSIAN 99, Development Version (Revision A.5); 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, C. 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, C. 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. Johnson, W. Chen, C. M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle, and J. A. Pople (Gaussian, Inc., Pittsburgh, PA, 1998).
-
(1998)
GAUSSIAN 99, Development Version (Revision A.5)
-
-
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, C.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, C.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.51
Chen, W.52
Wong, C.M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
|