-
1
-
-
0006048056
-
-
10.1016/0301-0104(93)80257-A
-
J.-E. Moser and M. Grätzel, Chem. Phys. 176, 493 (1993). 10.1016/0301-0104(93)80257-A
-
(1993)
Chem. Phys.
, vol.176
, pp. 493
-
-
Moser, J.-E.1
Grätzel, M.2
-
3
-
-
0030572324
-
-
10.1021/jp960155m
-
J. M. Rehm, G. L. McLendon, Y. Nagasawa, K. Yoshihara, J.-E. Moser, and M. Grätzel, J. Phys. Chem. 100, 9577 (1996). 10.1021/jp960155m
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 9577
-
-
Rehm, J.M.1
McLendon, G.L.2
Nagasawa, Y.3
Yoshihara, K.4
Moser, J.-E.5
Grätzel, M.6
-
4
-
-
33748469130
-
-
10.1021/jp9622905
-
B. Burfeindt, T. Hannappel, W. Storck, and F. Willig, J. Phys. Chem. 100, 16463 (1996). 10.1021/jp9622905
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 16463
-
-
Burfeindt, B.1
Hannappel, T.2
Storck, W.3
Willig, F.4
-
5
-
-
0001042053
-
-
10.1063/1.475069
-
I. B. Martini, J. Hodak, G. V. Hartland, and P. V. Kamat, J. Chem. Phys. 107, 8064 (1997). 10.1063/1.475069
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 8064
-
-
Martini, I.B.1
Hodak, J.2
Hartland, G.V.3
Kamat, P.V.4
-
6
-
-
0006479224
-
-
10.1021/jp983502w
-
H. N. Ghosh, J. B. Asbury, Y. Weng, and T. Lian, J. Phys. Chem. B 102, 10208 (1998). 10.1021/jp983502w
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 10208
-
-
Ghosh, H.N.1
Asbury, J.B.2
Weng, Y.3
Lian, T.4
-
7
-
-
53149122469
-
-
10.1155/S1110662X99000264
-
J. Wachtveitl, R. Huber, S. Spörlein, J.-E. Moser, and M. Grätzel, Int. J. Photoenergy 1, 153 (1999). 10.1155/S1110662X99000264
-
(1999)
Int. J. Photoenergy
, vol.1
, pp. 153
-
-
Wachtveitl, J.1
Huber, R.2
Spörlein, S.3
Moser, J.-E.4
Grätzel, M.5
-
8
-
-
4143108803
-
-
10.1021/jp9944381
-
R. Huber, S. Spörlein, J.-E. Moser, M. Grätzel, and J. Wachtveitl, J. Phys. Chem. B 104, 8995 (2000). 10.1021/jp9944381
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 8995
-
-
Huber, R.1
Spörlein, S.2
Moser, J.-E.3
Grätzel, M.4
Wachtveitl, J.5
-
9
-
-
0034291727
-
-
10.1016/S0013-4686(00)00608-3
-
F. Willig, C. Zimmermann, S. Ramakrishna, and W. Storck, Electrochim. Acta 45, 4565 (2000). 10.1016/S0013-4686(00)00608-3
-
(2000)
Electrochim. Acta
, vol.45
, pp. 4565
-
-
Willig, F.1
Zimmermann, C.2
Ramakrishna, S.3
Storck, W.4
-
10
-
-
0035942915
-
-
10.1021/jp003485m
-
J. B. Asbury, E. Hao, Y. Wang, H. N. Ghosh, and T. Lian, J. Phys. Chem. B 105, 4545 (2001). 10.1021/jp003485m
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 4545
-
-
Asbury, J.B.1
Hao, E.2
Wang, Y.3
Ghosh, H.N.4
Lian, T.5
-
11
-
-
0035960207
-
-
10.1021/jp011106z
-
C. Zimmermann, F. Willig, S. Ramakrishna, B. Burfeindt, B. Pettinger, R. Eichberger, and W. Storck, J. Phys. Chem. B 105, 9245 (2001). 10.1021/jp011106z
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 9245
-
-
Zimmermann, C.1
Willig, F.2
Ramakrishna, S.3
Burfeindt, B.4
Pettinger, B.5
Eichberger, R.6
Storck, W.7
-
12
-
-
0000195408
-
-
10.1016/S0009-2614(01)01065-X
-
N. A. Anderson, E. Hao, X. Ai, G. Hastings, and T. Lian, Chem. Phys. Lett. 347, 304 (2001). 10.1016/S0009-2614(01)01065-X
-
(2001)
Chem. Phys. Lett.
, vol.347
, pp. 304
-
-
Anderson, N.A.1
Hao, E.2
Ai, X.3
Hastings, G.4
Lian, T.5
-
13
-
-
0035961076
-
-
10.1021/jp011078k
-
G. Ramakrishna, H. N. Ghosh, A. K. Singh, D. K. Palit, and J. P. Mittal, J. Phys. Chem. B 105, 12786 (2001). 10.1021/jp011078k
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 12786
-
-
Ramakrishna, G.1
Ghosh, H.N.2
Singh, A.K.3
Palit, D.K.4
Mittal, J.P.5
-
15
-
-
0037007795
-
-
10.1021/jp0143443
-
J. Kallioinen, G. Benkö, V. Sundström, J. E. I. Korppi-Tommola, and A. P. Yartsev, J. Phys. Chem. B 106, 4396 (2002). 10.1021/jp0143443
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 4396
-
-
Kallioinen, J.1
Benkö, G.2
Sundström, V.3
Korppi-Tommola, J.E.I.4
Yartsev, A.P.5
-
17
-
-
0037183070
-
-
10.1021/jp0155819
-
R. Huber, J.-E. Moser, M. Grätzel, and J. Wachtveitl, J. Phys. Chem. B 106, 6494 (2002). 10.1021/jp0155819
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 6494
-
-
Huber, R.1
Moser, J.-E.2
Grätzel, M.3
Wachtveitl, J.4
-
18
-
-
18544367520
-
-
10.1038/nature00952
-
J. Schnadt, P. A. Brühwiler, L. Patthey, J. N. O'Shea, S. Södergren, M. Odelius, R. Ahuja, O. Karis, M. Bässler, P. Persson, H. Siegbahn, S. Lunell, and N. Mårtensson, Nature (London) 418, 620 (2002). 10.1038/nature00952
-
(2002)
Nature (London)
, vol.418
, pp. 620
-
-
Schnadt, J.1
Brühwiler, P.A.2
Patthey, L.3
O'Shea, J.N.4
Södergren, S.5
Odelius, M.6
Ahuja, R.7
Karis, O.8
Bässler, M.9
Persson, P.10
Siegbahn, H.11
Lunell, S.12
Mårtensson, N.13
-
19
-
-
0036888663
-
-
10.1016/S0301-0104(02)00687-0
-
R. Huber, J.-E. Moser, M. Grätzel, and J. Wachtveitl, Chem. Phys. 285, 39 (2002). 10.1016/S0301-0104(02)00687-0
-
(2002)
Chem. Phys.
, vol.285
, pp. 39
-
-
Huber, R.1
Moser, J.-E.2
Grätzel, M.3
Wachtveitl, J.4
-
20
-
-
0037666063
-
-
10.1021/jp0275645
-
K. Takeshita, Y. Sasaki, M. Kobashi, Y. Tanaka, S. Maeda, A. Yamakata, T. Ishibashi, and H. Onishi, J. Phys. Chem. B 107, 4156 (2003). 10.1021/jp0275645
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 4156
-
-
Takeshita, K.1
Sasaki, Y.2
Kobashi, M.3
Tanaka, Y.4
Maeda, S.5
Yamakata, A.6
Ishibashi, T.7
Onishi, H.8
-
21
-
-
18944398055
-
-
10.1146/annurev.physchem.55.091602.094347
-
N. A. Anderson and T. Lian, Annu. Rev. Phys. Chem. 56, 491 (2005). 10.1146/annurev.physchem.55.091602.094347
-
(2005)
Annu. Rev. Phys. Chem.
, vol.56
, pp. 491
-
-
Anderson, N.A.1
Lian, T.2
-
23
-
-
33846660665
-
-
10.1021/jp064436y
-
R. Ernstorfer, L. Gundlach, S. Felber, W. Storck, R. Eichberger, and F. Willig, J. Phys. Chem. B 110, 25383 (2006). 10.1021/jp064436y
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 25383
-
-
Ernstorfer, R.1
Gundlach, L.2
Felber, S.3
Storck, W.4
Eichberger, R.5
Willig, F.6
-
25
-
-
77951078492
-
-
10.1021/jp912133r
-
D. Stockwell, Y. Yang, J. Huang, C. Anfuso, Z. Huang, and T. Lian, J. Phys. Chem. C 114, 6560 (2010). 10.1021/jp912133r
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 6560
-
-
Stockwell, D.1
Yang, Y.2
Huang, J.3
Anfuso, C.4
Huang, Z.5
Lian, T.6
-
26
-
-
77952393477
-
-
10.1103/PhysRevLett.104.197401
-
H. Němec, J. Rochford, O. Taratula, E. Galoppini, P. Kužel, T. Polvka, A. P. Yartsev, and V. Sundström, Phys. Rev. Lett. 104, 197401 (2010). 10.1103/PhysRevLett.104.197401
-
(2010)
Phys. Rev. Lett.
, vol.104
, pp. 197401
-
-
Němec, H.1
Rochford, J.2
Taratula, O.3
Galoppini, E.4
Kužel, P.5
Polvka, T.6
Yartsev, A.P.7
Sundström, V.8
-
29
-
-
0035891138
-
-
10.1038/35104607
-
M. Grätzel, Nature (London) 414, 338 (2001). 10.1038/35104607
-
(2001)
Nature (London)
, vol.414
, pp. 338
-
-
Grätzel, M.1
-
30
-
-
0037160398
-
-
10.1021/ja016561n
-
G. Benkö, J. Kallioinen, J. E. I. Korppi-Tommola, A. P. Yartsev, and V. Sundström, J. Am. Chem. Soc. 124, 489 (2002). 10.1021/ja016561n
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 489
-
-
Benkö, G.1
Kallioinen, J.2
Korppi-Tommola, J.E.I.3
Yartsev, A.P.4
Sundström, V.5
-
32
-
-
53349157133
-
-
10.1021/jp801017m
-
I. Kondov, V. Vallet, H. Wang, and M. Thoss, J. Phys. Chem. A 112, 5467 (2008). 10.1021/jp801017m
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 5467
-
-
Kondov, I.1
Vallet, V.2
Wang, H.3
Thoss, M.4
-
45
-
-
0001289833
-
-
10.1016/S0065-3276(02)41054-4
-
P. Persson, R. Bergström, L. Ojamäe, and S. Lunell, Adv. Quantum Chem. 41, 203 (2002). 10.1016/S0065-3276(02)41054-4
-
(2002)
Adv. Quantum Chem.
, vol.41
, pp. 203
-
-
Persson, P.1
Bergström, R.2
Ojamäe, L.3
Lunell, S.4
-
46
-
-
0037448483
-
-
10.1021/jp027104b
-
S. Ramakrishna, F. Willig, V. May, and A. Knorr, J. Phys. Chem. B 107, 607 (2003). 10.1021/jp027104b
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 607
-
-
Ramakrishna, S.1
Willig, F.2
May, V.3
Knorr, A.4
-
49
-
-
4143071726
-
-
10.1016/j.chemphys.2004.06.008
-
M. Thoss, I. Kondov, and H. Wang, Chem. Phys. 304, 169 (2004). 10.1016/j.chemphys.2004.06.008
-
(2004)
Chem. Phys.
, vol.304
, pp. 169
-
-
Thoss, M.1
Kondov, I.2
Wang, H.3
-
50
-
-
8344239689
-
-
10.1063/1.1796274
-
L. Wang and V. May, J. Chem. Phys. 121, 8039 (2004). 10.1063/1.1796274
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 8039
-
-
Wang, L.1
May, V.2
-
53
-
-
19944373785
-
-
10.1021/jp0500539
-
L. Wang, R. Ernstorfer, F. Willig, and V. May, J. Phys. Chem. B 109, 9589 (2005). 10.1021/jp0500539
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 9589
-
-
Wang, L.1
Ernstorfer, R.2
Willig, F.3
May, V.4
-
62
-
-
33750188208
-
-
10.1021/ct050141x
-
P. Persson, M. J. Lundqvist, R. Ernstorfer, W. A. Goddard III, and F. Willig, J. Chem. Theory Comput. 2, 441 (2006). 10.1021/ct050141x
-
(2006)
J. Chem. Theory Comput.
, vol.2
, pp. 441
-
-
Persson, P.1
Lundqvist, M.J.2
Ernstorfer, R.3
Goddard III, W.A.4
Willig, F.5
-
63
-
-
33750193935
-
-
10.1063/1.2359445
-
K. K. Liang, C.-K. Lin, H.-C. Chang, M. Hayashi, and S. H. Lin, J. Chem. Phys. 125, 154706 (2006). 10.1063/1.2359445
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 154706
-
-
Liang, K.K.1
Lin, C.-K.2
Chang, H.-C.3
Hayashi, M.4
Lin, S.H.5
-
65
-
-
33750905066
-
-
10.1002/qua.21088
-
M. J. Lundqvist, M. Nilsing, P. Persson, and S. Lunell, Int. J. Quantum Chem. 106, 3214 (2006). 10.1002/qua.21088
-
(2006)
Int. J. Quantum Chem.
, vol.106
, pp. 3214
-
-
Lundqvist, M.J.1
Nilsing, M.2
Persson, P.3
Lunell, S.4
-
66
-
-
34548254101
-
-
10.1021/jp072217m
-
I. Kondov, M. Čížek, C. Benesch, H. Wang, and M. Thoss, J. Phys. Chem. C 111, 11970 (2007). 10.1021/jp072217m
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 11970
-
-
Kondov, I.1
Čížek, M.2
Benesch, C.3
Wang, H.4
Thoss, M.5
-
67
-
-
50649123511
-
-
10.1021/jp7118263
-
J. Li, M. Nilsing, I. Kondov, H. Wang, P. Persson, S. Lunell, and M. Thoss, J. Phys. Chem. C 112, 12326 (2008). 10.1021/jp7118263
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 12326
-
-
Li, J.1
Nilsing, M.2
Kondov, I.3
Wang, H.4
Persson, P.5
Lunell, S.6
Thoss, M.7
-
68
-
-
78650391711
-
-
10.1021/jp104335k
-
J. Li, I. Kondov, H. Wang, and M. Thoss, J. Phys. Chem. C 114, 18481 (2010). 10.1021/jp104335k
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 18481
-
-
Li, J.1
Kondov, I.2
Wang, H.3
Thoss, M.4
-
70
-
-
0005684745
-
-
10.1021/jp993583b
-
A. Vittadini, F. P. Rotzinger, A. Selloni, and M. Grätzel, J. Phys. Chem. B 104, 1300 (2000). 10.1021/jp993583b
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 1300
-
-
Vittadini, A.1
Rotzinger, F.P.2
Selloni, A.3
Grätzel, M.4
-
74
-
-
13044304431
-
-
10.1063/1.459170
-
J. C. Tully, J. Chem. Phys. 93, 1061 (1990). 10.1063/1.459170
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 1061
-
-
Tully, J.C.1
-
76
-
-
0042767657
-
-
10.1063/1.1580111
-
H. Wang and M. Thoss, J. Chem. Phys. 119, 1289 (2003). 10.1063/1.1580111
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 1289
-
-
Wang, H.1
Thoss, M.2
-
78
-
-
48849115891
-
-
10.1021/jp800980t
-
J. M. Szarko, A. Neubauer, A. Bartelt, L. Socaciu Siebert, F. Birkner, K. Schwarzburg, T. Hannappel, and R. Eichberger, J. Phys. Chem. C 112, 10542 (2008). 10.1021/jp800980t
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 10542
-
-
Szarko, J.M.1
Neubauer, A.2
Bartelt, A.3
Siebert, L.S.4
Birkner, F.5
Schwarzburg, K.6
Hannappel, T.7
Eichberger, R.8
-
79
-
-
79953716278
-
-
10.1021/jp109615b
-
A. Neubauer, J. M. Szarko, A. Bartelt, R. Eichberger, and T. Hannappel, J. Phys. Chem. C 115, 5683 (2011). 10.1021/jp109615b
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 5683
-
-
Neubauer, A.1
Szarko, J.M.2
Bartelt, A.3
Eichberger, R.4
Hannappel, T.5
-
80
-
-
34548530599
-
-
10.1016/j.chemphys.2007.03.010
-
D. Tsivlin and V. May, Chem. Phys. 338, 150 (2007). 10.1016/j.chemphys. 2007.03.010
-
(2007)
Chem. Phys.
, vol.338
, pp. 150
-
-
Tsivlin, D.1
May, V.2
-
81
-
-
4243194482
-
-
10.1016/0370-1573(91)90125-6
-
W. Domcke, Phys. Rep. 208, 97 (1991). 10.1016/0370-1573(91)90125-6
-
(1991)
Phys. Rep.
, vol.208
, pp. 97
-
-
Domcke, W.1
-
84
-
-
16444378435
-
-
10.1063/1.1747632
-
P.-O. Löwdin, J. Chem. Phys. 18, 365 (1950). 10.1063/1.1747632
-
(1950)
J. Chem. Phys.
, vol.18
, pp. 365
-
-
Löwdin, P.-O.1
-
86
-
-
0242679689
-
-
10.1103/PhysRevB.68.115406
-
Y. Xue and M. A. Ratner, Phys. Rev. B 68, 115406 (2003). 10.1103/PhysRevB.68.115406
-
(2003)
Phys. Rev. B
, vol.68
, pp. 115406
-
-
Xue, Y.1
Ratner, M.A.2
-
87
-
-
84871221598
-
-
This corresponds to the Condon approximation, which is often employed in the ET systems and is expected to be valid for the relatively rigid systems considered in this paper
-
This corresponds to the Condon approximation, which is often employed in the ET systems and is expected to be valid for the relatively rigid systems considered in this paper.
-
-
-
-
89
-
-
7944238011
-
-
10.1021/cr950249c
-
A. B. Myers, Chem. Rev. 96, 911 (1996). 10.1021/cr950249c
-
(1996)
Chem. Rev.
, vol.96
, pp. 911
-
-
Myers, A.B.1
-
90
-
-
0042290834
-
-
edited by W. Domcke, D. R. Yarkony, and H. Köppel (World Scientific, Singapore)
-
Conical Intersections: Electronic Structure, Dynamics and Spectroscopy, edited by, W. Domcke, D. R. Yarkony, and, H. Köppel, (World Scientific, Singapore, 2004).
-
(2004)
Conical Intersections: Electronic Structure, Dynamics and Spectroscopy
-
-
-
92
-
-
31144471615
-
-
10.1063/1.2161178
-
H. Wang and M. Thoss, J. Chem. Phys. 124, 034114 (2006). 10.1063/1.2161178
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 034114
-
-
Wang, H.1
Thoss, M.2
-
95
-
-
0033636381
-
-
10.1016/S0370-1573(99)00047-2
-
M. H. Beck, A. Jäckle, G. A. Worth, and H.-D. Meyer, Phys. Rep. 324, 1 (2000). 10.1016/S0370-1573(99)00047-2
-
(2000)
Phys. Rep.
, vol.324
, pp. 1
-
-
Beck, M.H.1
Jäckle, A.2
Worth, G.A.3
Meyer, H.-D.4
-
98
-
-
33244457992
-
-
10.1016/j.chemphys.2005.07.011
-
M. Thoss and H. Wang, Chem. Phys. 322, 210 (2006). 10.1016/j.chemphys. 2005.07.011
-
(2006)
Chem. Phys.
, vol.322
, pp. 210
-
-
Thoss, M.1
Wang, H.2
-
100
-
-
0346984166
-
-
10.1016/j.chemphys.2003.08.029
-
M. Thoss, W. Domcke, and H. Wang, Chem. Phys. 296, 217 (2004). 10.1016/j.chemphys.2003.08.029
-
(2004)
Chem. Phys.
, vol.296
, pp. 217
-
-
Thoss, M.1
Domcke, W.2
Wang, H.3
-
101
-
-
1942509698
-
-
10.1016/j.cplett.2004.03.052
-
H. Wang and M. Thoss, Chem. Phys. Lett. 389, 43 (2004). 10.1016/j.cplett.2004.03.052
-
(2004)
Chem. Phys. Lett.
, vol.389
, pp. 43
-
-
Wang, H.1
Thoss, M.2
-
102
-
-
42949155172
-
-
10.1063/1.2902982
-
U. Manthe, J. Chem. Phys. 128, 164116 (2008). 10.1063/1.2902982
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 164116
-
-
Manthe, U.1
-
103
-
-
59949085362
-
-
10.1063/1.3069655
-
U. Manthe, J. Chem. Phys. 130, 054109 (2009). 10.1063/1.3069655
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 054109
-
-
Manthe, U.1
-
105
-
-
84861905058
-
-
10.1080/00268976.2012.676211
-
R. Borelli, M. Thoss, H. Wang, and W. Domcke, Mol. Phys. 110, 751 (2012). 10.1080/00268976.2012.676211
-
(2012)
Mol. Phys.
, vol.110
, pp. 751
-
-
Borelli, R.1
Thoss, M.2
Wang, H.3
Domcke, W.4
-
108
-
-
65249138266
-
-
10.1021/jp8110343
-
R. Luschtinetz, J. Frenzel, T. Milek, and G. Seifert, J. Phys. Chem. C 113, 5730 (2009). 10.1021/jp8110343
-
(2009)
J. Phys. Chem. C
, vol.113
, pp. 5730
-
-
Luschtinetz, R.1
Frenzel, J.2
Milek, T.3
Seifert, G.4
-
109
-
-
18144378706
-
-
10.1103/PhysRevB.33.8800
-
J. P. Perdew and Y. Wang, Phys. Rev. B 33, 8800 (1986); 10.1103/PhysRevB.33.8800
-
(1986)
Phys. Rev. B
, vol.33
, pp. 8800
-
-
Perdew, J.P.1
Wang, Y.2
-
110
-
-
33645898818
-
-
10.1103/PhysRevB.45.13244
-
J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992). 10.1103/PhysRevB.45.13244
-
(1992)
Phys. Rev. B
, vol.45
, pp. 13244
-
-
Perdew, J.P.1
Wang, Y.2
-
111
-
-
0032221816
-
-
10.1007/s002140050021
-
C. Fonseca Guerra, J. G. Snijders, G. te Velde, and E. Baerends, J. Theor. Chem. Acc. 99, 391 (1998); 10.1007/s002140050021
-
(1998)
J. Theor. Chem. Acc.
, vol.99
, pp. 391
-
-
Fonseca Guerra, C.1
Snijders, J.G.2
Te Velde, G.3
Baerends, E.4
-
112
-
-
20644438873
-
-
10.1002/jcc.1056
-
G. te Velde, F. M. Bickelhaupt, S. J. A. van Gisbergen, C. Fonseca Guerra, E. J. Baerends, J. G. Snijders, and T. J. Ziegler, Comput. Chem. 22, 931 (2001); 10.1002/jcc.1056
-
(2001)
Comput. Chem.
, vol.22
, pp. 931
-
-
Te Velde, G.1
Bickelhaupt, F.M.2
Van Gisbergen, S.J.A.3
Fonseca Guerra, C.4
Baerends, E.J.5
Snijders, J.G.6
Ziegler, T.J.7
-
113
-
-
84871255838
-
-
ADF2002.03, SCM, Theoretical Chemistry, Vrije Universiteit: Amsterdam, The Netherlands, see
-
E. J. Baerends, J. A. Autschbach, A. Bacrces, C. Bo, P. M. Boerrigter, L. Cavallo, D. P. Chong, L. Deng, R. M. Dickson, D. E. Ellis, L. Fan, T. H. Fischer, C. Fonseca Guerra, S. J. A. van Gisbergen, J. A. Groeneveld, O. V. Gritsenko, M. Graning, F. E. Harris, P. van den Hoek, H. Jacobsen, G. van Kessel, F. Kootstra, E. van Lenthe, V. P. Osinga, S. Patchkovskii, P. H. T. Philipsen, D. Post, C. C. Pye, W. Ravenek, P. Ros, P. R. T. Schipper, G. Schreckenbach, J. G. Snijders, M. Sola, M. Swart, D. Swerhone, G. te Velde, P. Vernooijs, L. Versluis, O. Visser, E. van Wezenbeek, G. Wiesenekker, S. K. Wolff, T. K. Woo, and T. Ziegler, ADF2002.03, SCM, Theoretical Chemistry, Vrije Universiteit: Amsterdam, The Netherlands, see http://www.scm.com.
-
-
-
Baerends, E.J.1
Autschbach, J.A.2
Bacrces, A.3
Bo, C.4
Boerrigter, P.M.5
Cavallo, L.6
Chong, D.P.7
Deng, L.8
Dickson, R.M.9
Ellis, D.E.10
Fan, L.11
Fischer, T.H.12
Fonseca Guerra, C.13
Van Gisbergen, S.J.A.14
Groeneveld, J.A.15
Gritsenko, O.V.16
Graning, M.17
Harris, F.E.18
Van Den Hoek, P.19
Jacobsen, H.20
Van Kessel, G.21
Kootstra, F.22
Van Lenthe, E.23
Osinga, V.P.24
Patchkovskii, S.25
Philipsen, P.H.T.26
Post, D.27
Pye, C.C.28
Ravenek, W.29
Ros, P.30
Schipper, P.R.T.31
Schreckenbach, G.32
Snijders, J.G.33
Sola, M.34
Swart, M.35
Swerhone, D.36
Te Velde, G.37
Vernooijs, P.38
Versluis, L.39
Visser, O.40
Van Wezenbeek, E.41
Wiesenekker, G.42
Wolff, S.K.43
Woo, T.K.44
Ziegler, T.45
more..
-
114
-
-
84871257510
-
-
GAUSSIAN 03, Revision E.01, Gaussian, Inc., Wallingford, CT
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision E.01, Gaussian, Inc., Wallingford, CT, 2004.
-
(2004)
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
116
-
-
0000189651
-
-
10.1063/1.464913
-
A. D. Becke, J. Chem. Phys. 98, 5648 (1993). 10.1063/1.464913
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
118
-
-
0007991593
-
-
10.1080/00268978800101041
-
Y. Bouteiller, C. Mijoule, M. Nizam, J.-C. Barthelat, J. P. Daudey, M. Pélissier, and B. Silvi, Mol. Phys. 65, 295 (1988). 10.1080/ 00268978800101041
-
(1988)
Mol. Phys.
, vol.65
, pp. 295
-
-
Bouteiller, Y.1
Mijoule, C.2
Nizam, M.3
Barthelat, J.-C.4
Daudey, J.P.5
Pélissier, M.6
Silvi, B.7
-
119
-
-
4243539377
-
-
10.1016/0009-2614(89)85118-8
-
R. Ahlrichs, M. Bär, M. Häser, H. Horn, and C. Kölmel, Chem. Phys. Lett. 162, 165 (1989). 10.1016/0009-2614(89)85118-8
-
(1989)
Chem. Phys. Lett.
, vol.162
, pp. 165
-
-
Ahlrichs, R.1
Bär, M.2
Häser, M.3
Horn, H.4
Kölmel, C.5
-
121
-
-
0038687146
-
-
10.1021/jp027394w
-
T. M. Halasinski, J. L. Weisman, R. Ruiterkamp, T. J. Lee, F. Salama, and M. Head-Gordon, J. Phys. Chem. A 107, 3660 (2003). 10.1021/jp027394w
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 3660
-
-
Halasinski, T.M.1
Weisman, J.L.2
Ruiterkamp, R.3
Lee, T.J.4
Salama, F.5
Head-Gordon, M.6
-
122
-
-
79961053757
-
-
10.1103/PhysRevLett.107.027801
-
H. Hamoudi, S. Neppl, P. Kao, B. Schüpbach, P. Feulner, A. Terfort, D. L. Allara, and M. Zharnikov, Phys. Rev. Lett. 107, 027801 (2011). 10.1103/PhysRevLett.107.027801
-
(2011)
Phys. Rev. Lett.
, vol.107
, pp. 027801
-
-
Hamoudi, H.1
Neppl, S.2
Kao, P.3
Schüpbach, B.4
Feulner, P.5
Terfort, A.6
Allara, D.L.7
Zharnikov, M.8
-
123
-
-
84863063123
-
-
10.1021/jz2015567
-
F. Blobner, P. B. Coto, F. Allegretti, M. Bockstedte, Ò. Rubio-Pons, H. Wang, D. L. Allara, M. Zharnikov, M. Thoss, and P. Feulner, J. Phys. Chem. Lett. 3, 436 (2012). 10.1021/jz2015567
-
(2012)
J. Phys. Chem. Lett.
, vol.3
, pp. 436
-
-
Blobner, F.1
Coto, P.B.2
Allegretti, F.3
Bockstedte, M.4
Rubio-Pons, Ò.5
Wang, H.6
Allara, D.L.7
Zharnikov, M.8
Thoss, M.9
Feulner, P.10
-
125
-
-
67650740013
-
-
10.1063/1.3173823
-
H. Wang and M. Thoss, J. Chem. Phys. 131, 024114 (2009). 10.1063/1.3173823
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 024114
-
-
Wang, H.1
Thoss, M.2
-
126
-
-
80055043995
-
-
10.1021/jp205294h
-
A. Decker, S. L. Suraru, Ò. Rubio-Pons, E. Mankel, M. Bockstedte, M. Thoss, F. Würthner, T. Mayer, and W. Jaegermann, J. Phys. Chem. C 115, 21139 (2011). 10.1021/jp205294h
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 21139
-
-
Decker, A.1
Suraru, S.L.2
Rubio-Pons, Ò.3
Mankel, E.4
Bockstedte, M.5
Thoss, M.6
Würthner, F.7
Mayer, T.8
Jaegermann, W.9
-
127
-
-
0000597091
-
-
10.1146/annurev.physchem.51.1.153
-
J. C. Tully, Annu. Rev. Phys. Chem. 51, 153 (2000). 10.1146/annurev. physchem.51.1.153
-
(2000)
Annu. Rev. Phys. Chem.
, vol.51
, pp. 153
-
-
Tully, J.C.1
|