-
2
-
-
85115923458
-
-
edited by J.Leszczynski (World Scientific, Singapore
-
T. A. Wesolowski, in Computational Chemistry: Reviews of Current Trends, edited by, J. Leszczynski, (World Scientific, Singapore, 2006), Vol. 10.
-
(2006)
Computational Chemistry: Reviews of Current Trends
, vol.10
-
-
Wesolowski, T.A.1
-
3
-
-
22944484095
-
-
J. Neugebauer, M. J. Louwerse, E. J. Baerends, and T. A. Wesolowski, J. Chem. Phys. 122, 094115 (2005).
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 094115
-
-
Neugebauer, J.1
Louwerse, M.J.2
Baerends, E.J.3
Wesolowski, T.A.4
-
4
-
-
24944551998
-
-
J. Neugebauer, Ch. R. Jacob, T. A. Wesolowski, and E. J. Baerends, J. Phys. Chem. A 109, 7805 (2005).
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 7805
-
-
Neugebauer, J.1
Jacob Ch., R.2
Wesolowski, T.A.3
Baerends, E.J.4
-
5
-
-
33746458600
-
-
Ch. R. Jacob, J. Neugebauer, L. Jensen, and L. Visscher, Phys. Chem. Chem. Phys. 8, 2349 (2006).
-
(2006)
Phys. Chem. Chem. Phys.
, vol.8
, pp. 2349
-
-
Jacob Ch., R.1
Neugebauer, J.2
Jensen, L.3
Visscher, L.4
-
6
-
-
25444472357
-
-
J. Neugebauer, M. J. Louwerse, P. Belanzoni, T. A. Wesolowski, and E. J. Baerends, J. Chem. Phys. 123, 114101 (2005).
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 114101
-
-
Neugebauer, J.1
Louwerse, M.J.2
Belanzoni, P.3
Wesolowski, T.A.4
Baerends, E.J.5
-
12
-
-
0000025761
-
-
N. Govind, Y. A. Wang, A. J. R. da Silva, and E. A. Carter, Chem. Phys. Lett. 295, 129 (1998).
-
(1998)
Chem. Phys. Lett.
, vol.295
, pp. 129
-
-
Govind, N.1
Wang, Y.A.2
Da Silva, A.J.R.3
Carter, E.A.4
-
14
-
-
0035948044
-
-
T. Klüner, N. Govind, Y. A. Wang, and E. A. Carter, Phys. Rev. Lett. 86, 5954 (2001).
-
(2001)
Phys. Rev. Lett.
, vol.86
, pp. 5954
-
-
Klüner, T.1
Govind, N.2
Wang, Y.A.3
Carter, E.A.4
-
15
-
-
0036143738
-
-
T. Klüner, N. Govind, Y. A. Wang, and E. A. Carter, J. Chem. Phys. 116, 42 (2002).
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 42
-
-
Klüner, T.1
Govind, N.2
Wang, Y.A.3
Carter, E.A.4
-
17
-
-
0000377022
-
-
edited by S. D.Schwartz (Kluwer, Dordrecht
-
Y. A. Wang and E. A. Carter, in Theoretical Methods in Condensed Phase Chemistry, edited by, S. D. Schwartz, (Kluwer, Dordrecht, 2000), Chap., pp. 117-184.
-
(2000)
Theoretical Methods in Condensed Phase Chemistry
, pp. 117-184
-
-
Wang, Y.A.1
Carter, E.A.2
-
22
-
-
0002851019
-
-
edited by P.Ziesche and H.Eschrig (Akademie Verlag, Berlin
-
J. P. Perdew, in Electronic Structure of Solids, edited by, P. Ziesche, and, H. Eschrig, (Akademie Verlag, Berlin, 1991), p. 11.
-
(1991)
Electronic Structure of Solids
, pp. 11
-
-
Perdew, J.P.1
-
32
-
-
0242593713
-
-
J. Tao, J. P. Perdew, V. N. Staroverov, and G. E. Scuseria, Phys. Rev. Lett. 91, 146401 (2003).
-
(2003)
Phys. Rev. Lett.
, vol.91
, pp. 146401
-
-
Tao, J.1
Perdew, J.P.2
Staroverov, V.N.3
Scuseria, G.E.4
-
34
-
-
0000211269
-
-
P. R. T. Schipper, O. V. Gritsenko, S. J. A. van Gisbergen, and E. J. Baerends, J. Chem. Phys. 112, 1344 (2000).
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 1344
-
-
Schipper, P.R.T.1
Gritsenko, O.V.2
Van Gisbergen, S.J.A.3
Baerends, E.J.4
-
43
-
-
0001132752
-
-
J. P. Perdew, R. G. Parr, M. Levy, and J. L. Balduz, Jr., Phys. Rev. Lett. 49, 1691 (1982).
-
(1982)
Phys. Rev. Lett.
, vol.49
, pp. 1691
-
-
Perdew, J.P.1
Parr, R.G.2
Levy, M.3
Balduz Jr. J., L.4
-
44
-
-
34547275722
-
-
ADF, Amsterdam density functional program, Theoretical Chemistry, Vrije Universiteit Amsterdam
-
ADF, Amsterdam density functional program, Theoretical Chemistry, Vrije Universiteit Amsterdam, 2006 (http://www.scm.com).
-
(2006)
-
-
-
45
-
-
20644438873
-
-
G. te Velde, F. M. Bickelhaupt, E. J. Baerends, C. Fonseca Guerra, S. J. A. van Gisbergen, J. G. Snijders, and T. Ziegler, J. Comput. Chem. 22, 931 (2001).
-
(2001)
J. Comput. Chem.
, vol.22
, pp. 931
-
-
Te Velde, G.1
Bickelhaupt, F.M.2
Baerends, E.J.3
Fonseca Guerra, C.4
Van Gisbergen, S.J.A.5
Snijders, J.G.6
Ziegler, T.7
-
46
-
-
23244460838
-
-
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992).
-
(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
-
49
-
-
0035127331
-
-
R. Poteau, I. Ortega, F. Alary, A. Solis, J.-C. Barthelat, and J.-P. Daudey, J. Phys. Chem. A 105, 198 (2001).
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 198
-
-
Poteau, R.1
Ortega, I.2
Alary, F.3
Solis, A.4
Barthelat, J.-C.5
Daudey, J.-P.6
-
50
-
-
0035129987
-
-
R. Poteau, F. Alary, H. Abou El Makarim, J.-L. Heully, J.-C. Barthelat, and J.-P. Daudey, J. Phys. Chem. A 105, 206 (2001).
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 206
-
-
Poteau, R.1
Alary, F.2
Abou El Makarim, H.3
Heully, J.-L.4
Barthelat, J.-C.5
Daudey, J.-P.6
-
54
-
-
34547324169
-
-
ADF-GUI, Scientific Computing and Modeling, Amsterdam
-
ADF-GUI, Scientific Computing and Modeling, Amsterdam, 2006 (http://www.scm.com).
-
(2006)
-
-
|