-
5
-
-
0003754095
-
-
in edited by P. Ziesche and H. Eschrig Akademie Verlag, Berlin
-
J. P. Perdew, in Electronic Structure of Solids '91, edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin, 1991).
-
(1991)
Electronic Structure of Solids '91
-
-
Perdew, J.P.1
-
22
-
-
0011244409
-
-
L. A. Curtiss, K. Raghavachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. 94, 7721 (1991).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 7721
-
-
Curtiss, L.A.1
Raghavachari, K.2
Trucks, G.W.3
Pople, J.A.4
-
27
-
-
0003912310
-
-
Gaussian, Inc., Pittsburgh, PA
-
Gaussian 95, Development Version (Revision D.2), M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, M. C. Strain, J. C. Burant, E. Stratman, G. A. Petersson, J. A. Montgomery, V. G. Zakrzewski, T. Keith, K. Raghavachari, M. A. Al-Laham, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, C. Gonzalez, M. Head-Gordon, P. M. W. Gill, B. G. Johnson, and J. A. Pople, Gaussian, Inc., Pittsburgh, PA, 1996.
-
(1996)
Gaussian 95, Development Version (Revision D.2)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Strain, M.C.7
Burant, J.C.8
Stratman, E.9
Petersson, G.A.10
Montgomery, J.A.11
Zakrzewski, V.G.12
Keith, T.13
Raghavachari, K.14
Al-Laham, M.A.15
Ortiz, J.V.16
Foresman, J.B.17
Cioslowski, J.18
Stefanov, B.B.19
Nanayakkara, A.20
Challacombe, M.21
Peng, C.Y.22
Ayala, P.Y.23
Chen, W.24
Wong, M.W.25
Andres, J.L.26
Replogle, E.S.27
Gomperts, R.28
Martin, R.L.29
Fox, D.J.30
Binkley, J.S.31
Defrees, D.J.32
Baker, J.33
Stewart, J.P.34
Gonzalez, C.35
Head-Gordon, M.36
Gill, P.M.W.37
Johnson, B.G.38
Pople, J.A.39
more..
-
38
-
-
25344450852
-
-
S. J. Chakravorty, S. R. Gwaltney, E. R. Davidson, F. A. Parpia, and C. Froese-Fischer, Phys. Rev. A 47, 3649 (1993).
-
(1993)
Phys. Rev. A
, vol.47
, pp. 3649
-
-
Chakravorty, S.J.1
Gwaltney, S.R.2
Davidson, E.R.3
Parpia, F.A.4
Froese-Fischer, C.5
-
39
-
-
0000109748
-
-
L. A. Curtiss, K. Raghavachari, P. C. Redfern, and J. A. Pople, J. Chem. Phys. 106, 1063 (1997).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 1063
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Pople, J.A.4
-
48
-
-
2942542478
-
-
D. J. Defrees, B. A. Levi, S. K. Polak, W. J. Hehre, J. S. Binkley, and J. A. Pople, J. Am. Chem. Soc. 101, 4085 (1979).
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 4085
-
-
Defrees, D.J.1
Levi, B.A.2
Polak, S.K.3
Hehre, W.J.4
Binkley, J.S.5
Pople, J.A.6
-
53
-
-
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
-
55
-
-
22244471763
-
-
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 14, Suppl. No. (1985).
-
(1985)
J. Phys. Chem. Ref. Data
, vol.14
-
-
Chase Jr. M.W1
Davies, C.A.2
Downey Jr., J.R.3
Frurip, D.J.4
McDonald, R.A.5
Syverud, A.N.6
|