-
1
-
-
0342716484
-
-
preceding paper
-
J. A. Fernández, A. Longarte, I. Unamuno, and F. Castaño, J. Chem. Phys. 113, 8541 (2000), preceding paper.
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 8541
-
-
Fernández, J.A.1
Longarte, A.2
Unamuno, I.3
Castaño, F.4
-
2
-
-
0000811535
-
-
A. Longarte, J. A. Fernández, I. Unamuno, and F. Castaño, J. Chem. Phys. 112, 3170 (2000).
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 3170
-
-
Longarte, A.1
Fernández, J.A.2
Unamuno, I.3
Castaño, F.4
-
9
-
-
0000075153
-
-
A. Longarte, J. A. Fernández, I. Unamuno, and F. Castaño, Chem. Phys. Lett. 308, 516 (1999).
-
(1999)
Chem. Phys. Lett.
, vol.308
, pp. 516
-
-
Longarte, A.1
Fernández, J.A.2
Unamuno, I.3
Castaño, F.4
-
10
-
-
9344269016
-
-
(a) G. Rauhut and P. Pulay, J. Phys. Chem. 99, 3093 (1995); (b) R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 3093
-
-
Rauhut, G.1
Pulay, P.2
-
12
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
GAUSSIAN 98, 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, Jr., 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. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S Replogle, and J. A. Pople, Gaussian, Inc., Pittsburgh, PA (1998).
-
(1998)
GAUSSIAN 98, 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., Jr.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.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Gonzalez, C.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
-
16
-
-
0002683158
-
-
M. Satta, A. Latini, S. Piccirillo, T. M. Di Palma, M. Scuderi, M. Sperenza, and A. Giardini, Chem. Phys. Lett. 316, 94 (2000).
-
(2000)
Chem. Phys. Lett.
, vol.316
, pp. 94
-
-
Satta, M.1
Latini, A.2
Piccirillo, S.3
Di Palma, T.M.4
Scuderi, M.5
Sperenza, M.6
Giardini, A.7
-
19
-
-
0011581655
-
-
A. G. Taylor, A. C. Jones, A. R. Auty, and D. Phillips, Chem. Phys. Lett. 131, 534 (1986).
-
(1986)
Chem. Phys. Lett.
, vol.131
, pp. 534
-
-
Taylor, A.G.1
Jones, A.C.2
Auty, A.R.3
Phillips, D.4
-
24
-
-
33646465858
-
-
S. Tanabe, T. Ebata, M. Fujii, and N. Mikami, Chem. Phys. Lett. 215, 347 (1993).
-
(1993)
Chem. Phys. Lett.
, vol.215
, pp. 347
-
-
Tanabe, S.1
Ebata, T.2
Fujii, M.3
Mikami, N.4
-
28
-
-
0000277538
-
-
(a) B. D. Howells, J. McCombie, T. F. Palmer, J. P. Simons, and A. Walters, J. Chem. Soc., Faraday Trans. 88, 2595 (1992);
-
(1992)
J. Chem. Soc., Faraday Trans.
, vol.88
, pp. 2595
-
-
Howells, B.D.1
McCombie, J.2
Palmer, T.F.3
Simons, J.P.4
Walters, A.5
-
35
-
-
0342716753
-
-
Ph. D. thesis, Max-Planck Institut für Stroemungsforschung, Göttingen
-
H. Meyer, Ph. D. thesis, Max-Planck Institut für Stroemungsforschung, Göttingen, 1984.
-
(1984)
-
-
Meyer, H.1
|