-
1
-
-
33845282019
-
-
Bargeletti, F.; Juris, A.; Balzani, V.; Belser, P.; von Zelewsky, A. Inorg. Chem. 1987, 26, 4115-4119.
-
(1987)
Inorg. Chem
, vol.26
, pp. 4115-4119
-
-
Bargeletti, F.1
Juris, A.2
Balzani, V.3
Belser, P.4
von Zelewsky, A.5
-
2
-
-
0039721999
-
-
Juris, A.; Balzani, V.; Barigelleti, F.; Campagna, S.; Belser, P.; von Zelewsky, A. Coord. Chem. Rev. 1988, 84, 85-277.
-
(1988)
Coord. Chem. Rev
, vol.84
, pp. 85-277
-
-
Juris, A.1
Balzani, V.2
Barigelleti, F.3
Campagna, S.4
Belser, P.5
von Zelewsky, A.6
-
4
-
-
0001655432
-
-
Solomon, E. I, Lever, A. B. P, Eds, John Wiley and Sons: New Jersey, Chapter 4, p
-
Lever, A. B. P.; Dodsworth, E. S. In Inorganic Electronic Structure and Spectroscopy; Solomon, E. I., Lever, A. B. P., Eds.; John Wiley and Sons: New Jersey, 1999; Vol. II, Chapter 4, p 227.
-
(1999)
Inorganic Electronic Structure and Spectroscopy
, vol.2
, pp. 227
-
-
Lever, A.B.P.1
Dodsworth, E.S.2
-
6
-
-
84962463451
-
-
Li, J.; Fisher, C. L.; Chen, J. L.; Bahford, D.; Noodleman, L. Inorg. Chem. 1996, 35, 4694-4702.
-
(1996)
Inorg. Chem
, vol.35
, pp. 4694-4702
-
-
Li, J.1
Fisher, C.L.2
Chen, J.L.3
Bahford, D.4
Noodleman, L.5
-
7
-
-
84961985741
-
-
Martinez, J. M.; Pappalardo, R. R.; Sánchez Marcos, E.; Mennucci, B.; Tomasi, J. J. Phys. Chem. B 2002, 106, 1118-1123.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 1118-1123
-
-
Martinez, J.M.1
Pappalardo, R.R.2
Sánchez Marcos, E.3
Mennucci, B.4
Tomasi, J.5
-
8
-
-
9344229265
-
-
Angelis, F. D.; Tilocca, A.; Selloni, A. J. Am. Chem. Soc. 2004, 126, 15024-15025.
-
(2004)
J. Am. Chem. Soc
, vol.126
, pp. 15024-15025
-
-
Angelis, F.D.1
Tilocca, A.2
Selloni, A.3
-
9
-
-
0033531629
-
-
Rustad, J. R.; Dixon, D. A.; Rosso, K. M.; Felmy, A. R. J. Am. Chem. Soc. 1999, 121, 3234-3235.
-
(1999)
J. Am. Chem. Soc
, vol.121
, pp. 3234-3235
-
-
Rustad, J.R.1
Dixon, D.A.2
Rosso, K.M.3
Felmy, A.R.4
-
11
-
-
0347949903
-
-
Ikeda, I.; Hirata, M.; Kimura, T. J. Chem. Phys. 2003, 119, 12386-12392.
-
(2003)
J. Chem. Phys
, vol.119
, pp. 12386-12392
-
-
Ikeda, I.1
Hirata, M.2
Kimura, T.3
-
12
-
-
22944456571
-
-
Ikeda, I.; Hirata, M.; Kimura, T. J. Chem. Phys. 2005, 122, 024510.
-
(2005)
J. Chem. Phys
, vol.122
, pp. 024510
-
-
Ikeda, I.1
Hirata, M.2
Kimura, T.3
-
13
-
-
23844521331
-
-
Amira, S.; Spångberg, D.; Zelin, V.; Probst, M.; Hermansson, K. J. Phys. Chem. B 2005, 109, 14235-14242.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 14235-14242
-
-
Amira, S.1
Spångberg, D.2
Zelin, V.3
Probst, M.4
Hermansson, K.5
-
14
-
-
0036381041
-
-
Ensing, B.; Buda, F.; Blochl, P. E.; Baerends, E. J. Phys. Chem. Chem. Phys. 2002, 4, 3619-3627.
-
(2002)
Phys. Chem. Chem. Phys
, vol.4
, pp. 3619-3627
-
-
Ensing, B.1
Buda, F.2
Blochl, P.E.3
Baerends, E.J.4
-
16
-
-
23344447224
-
-
Tateyama, Y.; Blumberger, J.; Sprik, M.; Tavernelli, I. J. Chem. Phys. 2005, 122, 234505.
-
(2005)
J. Chem. Phys
, vol.122
, pp. 234505
-
-
Tateyama, Y.1
Blumberger, J.2
Sprik, M.3
Tavernelli, I.4
-
18
-
-
32644475344
-
-
Blumberger, J.; Tavernelli, I.; Klein, M. L.; Sprik, M. J. Chem. Phys. 2006, 124, 064507.
-
(2006)
J. Chem. Phys
, vol.124
, pp. 064507
-
-
Blumberger, J.1
Tavernelli, I.2
Klein, M.L.3
Sprik, M.4
-
31
-
-
1642276658
-
-
Blumberger, J.; Bernasconi, L.; Tavernelli, I.; Vuilleumier, R.; Sprik, M. J. Am. Chem. Soc. 2004, 126, 3928-3938.
-
(2004)
J. Am. Chem. Soc
, vol.126
, pp. 3928-3938
-
-
Blumberger, J.1
Bernasconi, L.2
Tavernelli, I.3
Vuilleumier, R.4
Sprik, M.5
-
33
-
-
33644903505
-
-
VandeVondele, J.; Lynden-Bell, R.; Meijer, E. J.; Sprik, M. J. Phys. Chem. B 2006, 110, 3614-3623.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 3614-3623
-
-
VandeVondele, J.1
Lynden-Bell, R.2
Meijer, E.J.3
Sprik, M.4
-
34
-
-
33746319386
-
-
VandeVondele, J.; Sulpizi, M.; Sprik, M. Angew. Chem., Int. Ed. 2006, 45, 1936-1938.
-
(2006)
Angew. Chem., Int. Ed
, vol.45
, pp. 1936-1938
-
-
VandeVondele, J.1
Sulpizi, M.2
Sprik, M.3
-
36
-
-
33846268552
-
-
CPMD Version 3.9.2, Copyright IBM Corp 1990-2001, Copyright MPI fur Festkorperforschung Stuttgart 1997-2005
-
CPMD Version 3.9.2, Copyright IBM Corp 1990-2001, Copyright MPI fur Festkorperforschung Stuttgart 1997-2005.
-
-
-
-
37
-
-
4243553426
-
-
Becke, A. Phys. Rev. A 1988, 38, 3098-3100.
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098-3100
-
-
Becke, A.1
-
38
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. Phys. Rev. B 1988, 37, 785-789.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785-789
-
-
Lee, C.1
Yang, W.2
Parr, R.3
-
40
-
-
21244448799
-
-
Blumberger, J.; Tateyama, Y.; Sprik, M. Com. Phys. Comm. 2005, 169, 256-261.
-
(2005)
Com. Phys. Comm
, vol.169
, pp. 256-261
-
-
Blumberger, J.1
Tateyama, Y.2
Sprik, M.3
-
44
-
-
0036470325
-
-
Chong, D. P.; Gritsenko, O. V.; Baerends, E. J. J. Chem. Phys. 2002, 116, 1760-1772.
-
(2002)
J. Chem. Phys
, vol.116
, pp. 1760-1772
-
-
Chong, D.P.1
Gritsenko, O.V.2
Baerends, E.J.3
-
45
-
-
0037042636
-
-
Grüning, M.; Gritsenko, O. V.; van Gisbergen, S. J.; Baerends, E. J. J. Chem. Phys. 2002, 116, 9591-9601.
-
(2002)
J. Chem. Phys
, vol.116
, pp. 9591-9601
-
-
Grüning, M.1
Gritsenko, O.V.2
van Gisbergen, S.J.3
Baerends, E.J.4
-
47
-
-
11044233420
-
-
Bernasconi, L.; Blumberger, J.; Sprik, M.; Vuilleumier, R. J. Chem. Phys. 2004, 121, 11885-11899.
-
(2004)
J. Chem. Phys
, vol.121
, pp. 11885-11899
-
-
Bernasconi, L.1
Blumberger, J.2
Sprik, M.3
Vuilleumier, R.4
-
48
-
-
22844443925
-
-
Pendergast, D.; Grossman, J. C.; Galli, G. J. Chem. Phys. 2005, 123, 014501.
-
(2005)
J. Chem. Phys
, vol.123
, pp. 014501
-
-
Pendergast, D.1
Grossman, J.C.2
Galli, G.3
-
49
-
-
33846302156
-
-
An added complication is that the Γ point-only k space sampling as applied here is likely to be not adequate for the delocalized virtual solvent states.48 Introduction of more k points may therefore affect the energies of these states and, hence, the mixing with the localized virtual states of the solute
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48 Introduction of more k points may therefore affect the energies of these states and, hence, the mixing with the localized virtual states of the solute.
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