-
4
-
-
10944265762
-
-
I. Howard, F. Zutterman, G. Deroover, D. Lamoen, and C. Van Alsenoy, J. Phys. Chem. B 108, 19155 (2004).
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 19155
-
-
Howard, I.1
Zutterman, F.2
Deroover, G.3
Lamoen, D.4
Van Alsenoy, C.5
-
9
-
-
15944393779
-
-
Springer, Berlin
-
A. Rosa, G. Ricciardi, O. V. Gritsenko, and E. J. Baerends, Structure and Bonding (Springer, Berlin, 2004), Vol. 112, pp. 49-116.
-
(2004)
Structure and Bonding
, vol.112
, pp. 49-116
-
-
Rosa, A.1
Ricciardi, G.2
Gritsenko, O.V.3
Baerends, E.J.4
-
12
-
-
34047276641
-
-
C. Herrmann, J. Neugebauer, M. Presselt, M. Schmitt, S. Rau, J. Popp, and M. Reiher, J. Phys. Chem. (to be published).
-
J. Phys. Chem.
-
-
Herrmann, C.1
Neugebauer, J.2
Presselt, M.3
Schmitt, M.4
Rau, S.5
Popp, J.6
Reiher, M.7
-
14
-
-
0037042636
-
-
M. Grüning, O. V. Gritsenko, S. J. A. van Gisbergen, and E. J. Baerends, J. Chem. Phys. 116, 9591 (2002).
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 9591
-
-
Grüning, M.1
Gritsenko, O.V.2
Van Gisbergen, S.J.A.3
Baerends, E.J.4
-
15
-
-
0034319444
-
-
M. E. Casida, F. Gutierrez, J. Guan, F.-X. Gadea, D. Salahub, and J.-P. Daudey, J. Chem. Phys. 113, 7062 (2000).
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 7062
-
-
Casida, M.E.1
Gutierrez, F.2
Guan, J.3
Gadea, F.-X.4
Salahub, D.5
Daudey, J.-P.6
-
18
-
-
2542450086
-
-
Y. Tawada, T. Tsuneda, S. Yanagisawa, T. Yanai, and K. Hirao, J. Chem. Phys. 120, 8425 (2004).
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 8425
-
-
Tawada, Y.1
Tsuneda, T.2
Yanagisawa, S.3
Yanai, T.4
Hirao, K.5
-
23
-
-
33846080443
-
-
edited by A. F.Collings and C.Critchley, 1st ed. (Wiley-VCH, Weinheim
-
Artificial Photosynthesis, edited by, A. F. Collings, and, C. Critchley, 1st ed. (Wiley-VCH, Weinheim, 2005).
-
(2005)
Artificial Photosynthesis
-
-
-
25
-
-
84962419783
-
-
M. F. Iozzi, B. Mennucci, J. Tomasi, and R. Cammi, J. Chem. Phys. 120, 7029 (2004).
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 7029
-
-
Iozzi, M.F.1
Mennucci, B.2
Tomasi, J.3
Cammi, R.4
-
26
-
-
0035250028
-
-
C.-P. Hsu, G. R. Fleming, M. Head-Gordon, and T. Head-Gordon, J. Chem. Phys. 114, 3065 (2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 3065
-
-
Hsu, C.-P.1
Fleming, G.R.2
Head-Gordon, M.3
Head-Gordon, T.4
-
32
-
-
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
-
33
-
-
24944551998
-
-
J. Neugebauer, C. 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, C.R.2
Wesolowski, T.A.3
Baerends, E.J.4
-
34
-
-
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
-
35
-
-
33746458600
-
-
C. 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, C.R.1
Neugebauer, J.2
Jensen, L.3
Visscher, L.4
-
40
-
-
40749138932
-
-
Computational Chemistry: Reviews of Current Trends Vol. 10, edited by J.Leszczynski (World Scientific, Singapore
-
T. A. Wesolowski, in One-electron Equations for Embedded Electron Density: Challenge for Theory and Practical Payoffs in Multi-Level Modeling of Complex Polyatomic Systems, Computational Chemistry: Reviews of Current Trends Vol. 10, edited by, J. Leszczynski, (World Scientific, Singapore, 2006), pp. 1-82.
-
(2006)
One-electron Equations for Embedded Electron Density: Challenge for Theory and Practical Payoffs in Multi-Level Modeling of Complex Polyatomic Systems
, pp. 1-82
-
-
Wesolowski, T.A.1
-
41
-
-
34047262363
-
-
P.Cortona
-
P. Cortona, Phys. Rev. B 44, 8454 (1991).
-
(1991)
Phys. Rev. B
, vol.44
, pp. 8454
-
-
-
47
-
-
34047253228
-
-
Computer code AMSTERDAM DENSITY FUNCTIONAL (ADF), Theoretical Chemistry, Vrije Universiteit, Amsterdam; URL:
-
Computer code AMSTERDAM DENSITY FUNCTIONAL (ADF), Theoretical Chemistry, Vrije Universiteit, Amsterdam; URL: http://www.scm.com.
-
-
-
-
50
-
-
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
-
52
-
-
0000100872
-
-
G. D. Scholes, I. R. Gould, R. J. Cogdell, and G. R. Fleming, J. Phys. Chem. B 103, 2543 (1999).
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 2543
-
-
Scholes, G.D.1
Gould, I.R.2
Cogdell, R.J.3
Fleming, G.R.4
-
56
-
-
0002851019
-
-
edited by P.Ziesche and H.Eschrig (Akademie, Berlin
-
J. P. Perdew, in Electronic Structure of Solids, edited by, P. Ziesche, and, H. Eschrig, (Akademie, Berlin, 1991), p. 11.
-
(1991)
Electronic Structure of Solids
, pp. 11
-
-
Perdew, J.P.1
-
57
-
-
34047255601
-
-
A.Lembarki and H.Chermette
-
A. Lembarki, and, H. Chermette, Phys. Rev. A 50, 5328 (1994).
-
(1994)
Phys. Rev. A
, vol.50
, pp. 5328
-
-
|