-
6
-
-
23244460838
-
-
Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., Fiolhais C. Phys. Rev. B. 46:1992;6671.
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
22
-
-
0039931990
-
-
CADPAC5: The Cambridge Analytic Derivatives Package, Cambridge
-
R.D. Amos, I.L. Alberts, J.S. Andrews, S.M. Collwell, N.C. Handy, D. Jayatilaka, P.J. Knowles, R. Kobayashi, N. Koga, K.E. Laidig, P.E. Maslen, C.W. Murray, J.E. Rice, J. Sanz, E.D. Simandrias, A.J. Stone, M.-D. Su, CADPAC5: The Cambridge Analytic Derivatives Package, Cambridge, 1992.
-
(1992)
-
-
Amos, R.D.1
Alberts, I.L.2
Andrews, J.S.3
Collwell, S.M.4
Handy, N.C.5
Jayatilaka, D.6
Knowles, P.J.7
Kobayashi, R.8
Koga, N.9
Laidig, K.E.10
Maslen, P.E.11
Murray, C.W.12
Rice, J.E.13
Sanz, J.14
Simandrias, E.D.15
Stone, A.J.16
Su, M.-D.17
-
25
-
-
84873055189
-
-
Wiley-Interscience, New York, NY
-
W.J. Hehre, L. Radom, P.v.R. Schleyer, J.A. Pople, Ab Initio Molecular Orbital Theory, Wiley-Interscience, New York, NY, 1986.
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.V.R.3
Pople, J.A.4
-
29
-
-
0039339746
-
-
CADPAC6.0: The Cambridge Analytic Derivatives Package, Cambridge
-
R.D. Amos, I.L. Alberts, J.S. Andrews, S.M. Collwell, N.C. Handy, D. Jayatilaka, P.J. Knowles, R. Kobayashi, G.J. Laming, A.M. Lee, P.E. Maslen, C.W. Murray, P. Palmieri, J.E. Rice, E.D. Simandrias, A.J. Stone, M.-D. Su, D.J. Tozer, CADPAC6.0: The Cambridge Analytic Derivatives Package, Cambridge, 1995.
-
(1995)
-
-
Amos, R.D.1
Alberts, I.L.2
Andrews, J.S.3
Collwell, S.M.4
Handy, N.C.5
Jayatilaka, D.6
Knowles, P.J.7
Kobayashi, R.8
Laming, G.J.9
Lee, A.M.10
Maslen, P.E.11
Murray, C.W.12
Palmieri, P.13
Rice, J.E.14
Simandrias, E.D.15
Stone, A.J.16
Su, M.-D.17
Tozer, D.J.18
-
33
-
-
0004133516
-
-
Gaussian, Pittsburgh, PA
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T.A. Keith, J.A. Peterson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B. Stefanov, A. Nanayakhara, 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.J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, GAUSSIAN 94, Gaussian, Pittsburgh, PA, 1995.
-
(1995)
GAUSSIAN 94
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.A.8
Peterson, J.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.17
Nanayakhara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
|