-
1
-
-
36549090807
-
-
Cox, D. M.; Trevor, D. J.; Whetten, R. L.; Rohlfing, E. A.; Kaldor, A. J. Chem. Phys. 1986, 84, 4651.
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 4651
-
-
Cox, D.M.1
Trevor, D.J.2
Whetten, R.L.3
Rohlfing, E.A.4
Kaldor, A.5
-
4
-
-
21144473595
-
-
Zakrzewski, V. G.; von Niessen, W.; Boldyrev, A. I.; Schleyer, P. v. R. Chem. Phys. Lett. 1993, 174, 167.
-
(1993)
Chem. Phys. Lett.
, vol.174
, pp. 167
-
-
Zakrzewski, V.G.1
Von Niessen, W.2
Boldyrev, A.I.3
Schleyer, P.V.R.4
-
5
-
-
0001202395
-
-
Wu, H.; Li, X.; Wang, X.-B.; Ding, C.-F.; Wang, L.-S. J. Chem. Phys. 1998, 109, 449.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 449
-
-
Wu, H.1
Li, X.2
Wang, X.-B.3
Ding, C.-F.4
Wang, L.-S.5
-
8
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A8; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision A8
-
-
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 Jr., 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..
-
10
-
-
0345491105
-
-
(b) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
11
-
-
26844534384
-
-
(a) Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
12
-
-
84986468715
-
-
(b) Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; Schleyer, P. v. R. J. Comput. Chem. 1983, 4, 294.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 294
-
-
Clark, T.1
Chandrasekhar, J.2
Spitznagel, G.W.3
Schleyer, P.V.R.4
-
13
-
-
36549091139
-
-
(c) Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 1984, 80, 3265.
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 3265
-
-
Frisch, M.J.1
Pople, J.A.2
Binkley, J.S.3
-
15
-
-
0011682081
-
-
Pople, J. A.; Head-Gordon, M.; Raghavachari, K. 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
-
16
-
-
0001105578
-
-
Leszczynski, J., Ed.; World Scientific: Singapore
-
(a) Ortiz, J. V. In Computational Chemistry: Reviews of Current Trends; Leszczynski, J., Ed.; World Scientific: Singapore, 1997; Vol. 2, p 1.
-
(1997)
Computational Chemistry: Reviews of Current Trends
, vol.2
, pp. 1
-
-
Ortiz, J.V.1
-
18
-
-
0001661987
-
-
Kryachko, E. S., Ed.; Kluwer: Dordrecht
-
(c) Ortiz, J. V.; Zakrzewski, V. G.; Dolgounitcheva, O. In Conceptual Trends in Quantum Chemistry; Kryachko, E. S., Ed.; Kluwer: Dordrecht, 1997; Vol. 3, p 465.
-
(1997)
Conceptual Trends in Quantum Chemistry
, vol.3
, pp. 465
-
-
Ortiz, J.V.1
Zakrzewski, V.G.2
Dolgounitcheva, O.3
-
19
-
-
0004203089
-
-
CAOS/CAMM Center, The Netherlands
-
Schaftenaar, G. MOLDEN 3.4, CAOS/CAMM Center, The Netherlands, 1998.
-
(1998)
MOLDEN 3.4
-
-
Schaftenaar, G.1
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