-
4
-
-
70449350937
-
-
See e.g. and references therein
-
See e.g.: Jacquemin, D.; Wathelet, V.; Perpète, E. A.; Adamo, C. J. Chem. Theory Comput. 2009, 5, 2420 and references therein
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 2420
-
-
Jacquemin, D.1
Wathelet, V.2
Perpète, E.A.3
Adamo, C.4
-
5
-
-
77956140995
-
-
Jacquemin, D.; Perpète, E. A.; Ciofini, I.; Adamo, C.; Valero, R.; Zhao, Y.; Truhlar, D. G. J. Chem. Theory Comput. 2010, 6, 2071
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 2071
-
-
Jacquemin, D.1
Perpète, E.A.2
Ciofini, I.3
Adamo, C.4
Valero, R.5
Zhao, Y.6
Truhlar, D.G.7
-
7
-
-
34247199000
-
-
Jacquemin, D.; Perpète, E. A.; Scalmani, G.; Frisch, M. J.; Kobayashi, R.; Adamo, C. J. Chem. Phys. 2007, 126, 144105
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 144105
-
-
Jacquemin, D.1
Perpète, E.A.2
Scalmani, G.3
Frisch, M.J.4
Kobayashi, R.5
Adamo, C.6
-
10
-
-
0034803564
-
-
Schreiber, M.; Buss, V.; Fülscher, M. P. Phys. Chem. Chem. Phys. 2001, 3, 3906
-
(2001)
Phys. Chem. Chem. Phys.
, vol.3
, pp. 3906
-
-
Schreiber, M.1
Buss, V.2
Fülscher, M.P.3
-
11
-
-
0004035344
-
-
In; Langhoff, S. R. Kluwer: Dordrecht, The Netherlands
-
Roos, B. O.; Fulscher, M.; Malmqvist, P.-A.; Merchan, M.; Serrano-Andres, L. In Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy; Langhoff, S. R.; Ed.; Kluwer: Dordrecht, The Netherlands, 1995; pp 357-438.
-
(1995)
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
, pp. 357-438
-
-
Roos, B.O.1
Fulscher, M.2
Malmqvist, P.-A.3
Merchan, M.4
Serrano-Andres, L.5
-
13
-
-
79951478432
-
-
Send, R.; Valsson, O.; Filippi, C. J. Chem. Theory Comput. 2011, 7, 444
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 444
-
-
Send, R.1
Valsson, O.2
Filippi, C.3
-
14
-
-
8344289249
-
-
Ghigo, G.; Roos, B. O.; Malmqvist, P.-A. Chem. Phys. Lett. 2004, 396, 142
-
(2004)
Chem. Phys. Lett.
, vol.396
, pp. 142
-
-
Ghigo, G.1
Roos, B.O.2
Malmqvist, P.-A.3
-
16
-
-
36449002657
-
-
Christiansen, O.; Koch, H.; Jørgensen, P. J. Chem. Phys. 1995, 103, 7429
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 7429
-
-
Christiansen, O.1
Koch, H.2
Jørgensen, P.3
-
19
-
-
27344452533
-
-
Zhao, Y.; Schultz, N. E.; Truhlar, D. G. J. Chem. Phys. 2005, 123, 161103
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 161103
-
-
Zhao, Y.1
Schultz, N.E.2
Truhlar, D.G.3
-
20
-
-
84859562532
-
-
Zhao, Y.; Schultz, N. E.; Truhlar, D. G. J. Chem. Theory Comput. 2006, 124, 044315
-
(2006)
J. Chem. Theory Comput.
, vol.124
, pp. 044315
-
-
Zhao, Y.1
Schultz, N.E.2
Truhlar, D.G.3
-
24
-
-
33750458344
-
-
Bertolino, C. A.; Ferrari, A. M.; Barolo, C.; Viscardi, G.; Caputo, G.; Coluccia, S. Chem. Phys. 2006, 330, 52
-
(2006)
Chem. Phys.
, vol.330
, pp. 52
-
-
Bertolino, C.A.1
Ferrari, A.M.2
Barolo, C.3
Viscardi, G.4
Caputo, G.5
Coluccia, S.6
-
25
-
-
33744991701
-
-
Champagne, B.; Guillaume, M.; Zutterman, F. Chem. Phys. Lett. 2006, 425, 105
-
(2006)
Chem. Phys. Lett.
, vol.425
, pp. 105
-
-
Champagne, B.1
Guillaume, M.2
Zutterman, F.3
-
26
-
-
34548501963
-
-
Guillaume, M.; Liégeois, V.; Champagne, B.; Zutterman, F. Chem. Phys. Lett. 2007, 446, 165
-
(2007)
Chem. Phys. Lett.
, vol.446
, pp. 165
-
-
Guillaume, M.1
Liégeois, V.2
Champagne, B.3
Zutterman, F.4
-
27
-
-
67349088766
-
-
Zhang, X.-H.; Wang, L.-Y.; Zhai, G.-H.; Wen, Z.-Y.; Zhang, Z.-X. J. Mol. Struct. Theochem 2009, 906, 50
-
(2009)
J. Mol. Struct. Theochem
, vol.906
, pp. 50
-
-
Zhang, X.-H.1
Wang, L.-Y.2
Zhai, G.-H.3
Wen, Z.-Y.4
Zhang, Z.-X.5
-
28
-
-
77949427720
-
-
Bamgbelu, A.; Wang, J.; Leszczynski, J. J. Phys. Chem. A 2010, 114, 3551
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 3551
-
-
Bamgbelu, A.1
Wang, J.2
Leszczynski, J.3
-
31
-
-
78651447527
-
-
Meguellati, K.; Ladame, S.; Spichty, M. Dyes Pigm. 2011, 90, 114
-
(2011)
Dyes Pigm.
, vol.90
, pp. 114
-
-
Meguellati, K.1
Ladame, S.2
Spichty, M.3
-
32
-
-
82755189260
-
-
Yasarawan, N.; Thipyapong, K.; Ruangpornvisuti, V. J. Mol. Struct. 2011, 1006, 635
-
(2011)
J. Mol. Struct.
, vol.1006
, pp. 635
-
-
Yasarawan, N.1
Thipyapong, K.2
Ruangpornvisuti, V.3
-
33
-
-
35748963866
-
-
Toutchkine, A.; Han, W.-G.; Ullmann, M.; Liu, T.; Bashford, D.; Noodleman, L.; Hahn, K. M. J. Phys. Chem. A 2007, 111, 10849
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 10849
-
-
Toutchkine, A.1
Han, W.-G.2
Ullmann, M.3
Liu, T.4
Bashford, D.5
Noodleman, L.6
Hahn, K.M.7
-
34
-
-
0032327771
-
-
Baraldi, I.; Momicchioli, F.; Ponterini, G.; Vanossi, D. Chem. Phys. 1998, 238, 353
-
(1998)
Chem. Phys.
, vol.238
, pp. 353
-
-
Baraldi, I.1
Momicchioli, F.2
Ponterini, G.3
Vanossi, D.4
-
35
-
-
0000585617
-
-
Baraldi, I.; Momicchioli, F.; Ponterini, G.; Vanossi, D. Adv. Quantum Chem. 1999, 36, 121
-
(1999)
Adv. Quantum Chem.
, vol.36
, pp. 121
-
-
Baraldi, I.1
Momicchioli, F.2
Ponterini, G.3
Vanossi, D.4
-
36
-
-
0037443885
-
-
Baraldi, I.; Brancolini, G.; Momicchioli, F.; Ponterini, G.; Vanossi, D. Chem. Phys. 2003, 288, 309
-
(2003)
Chem. Phys.
, vol.288
, pp. 309
-
-
Baraldi, I.1
Brancolini, G.2
Momicchioli, F.3
Ponterini, G.4
Vanossi, D.5
-
37
-
-
34247844362
-
-
Silva, G. L.; Ediz, V.; Yaron, D.; Armitage, B. A. J. Am. Chem. Soc. 2007, 129, 5710
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 5710
-
-
Silva, G.L.1
Ediz, V.2
Yaron, D.3
Armitage, B.A.4
-
38
-
-
0034728567
-
-
Sanchez-Galvez, A.; Hunt, P.; Robb, M. A.; Olivucci, M.; Vreven, T.; Schlegel, H. B. J. Am. Chem. Soc. 2000, 122, 2911
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 2911
-
-
Sanchez-Galvez, A.1
Hunt, P.2
Robb, M.A.3
Olivucci, M.4
Vreven, T.5
Schlegel, H.B.6
-
41
-
-
10844225583
-
-
Christiansen, O.; Koch, H.; Jørgensen, P. Chem. Phys. Lett. 1995, 243, 409
-
(1995)
Chem. Phys. Lett.
, vol.243
, pp. 409
-
-
Christiansen, O.1
Koch, H.2
Jørgensen, P.3
-
42
-
-
0001177596
-
-
Roos, B.; Taylor, P. R.; Siegbahn, P. E. M. Chem. Phys. 1980, 48, 157
-
(1980)
Chem. Phys.
, vol.48
, pp. 157
-
-
Roos, B.1
Taylor, P.R.2
Siegbahn, P.E.M.3
-
43
-
-
4243943295
-
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
44
-
-
0001322105
-
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. J. Chem. Phys. 1996, 105, 9982
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 9982
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
46
-
-
3142771297
-
-
Yanai, T.; Tew, D. P.; Handy, N. C. Chem. Phys. Lett. 2004, 393, 51
-
(2004)
Chem. Phys. Lett.
, vol.393
, pp. 51
-
-
Yanai, T.1
Tew, D.P.2
Handy, N.C.3
-
49
-
-
4143095330
-
-
Kendall, R. A.; Dunning, T. H.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning, T.H.2
Harrison, R.J.3
|