-
1
-
-
0036256298
-
-
a) B. S. Brunschwig, C. Creutz, N. Sutin, Chem. Soc. Rev. 2002, 31, 168.
-
(2002)
Chem. Soc. Rev.
, vol.31
, pp. 168
-
-
Brunschwig, B.S.1
Creutz, C.2
Sutin, N.3
-
2
-
-
0035470233
-
-
b) K. D. Demadis, C. M. Hartshorn, T. M. Meyer, Chem. Rev. 2001, 101, 2655.
-
(2001)
Chem. Rev.
, vol.101
, pp. 2655
-
-
Demadis, K.D.1
Hartshorn, C.M.2
Meyer, T.M.3
-
4
-
-
85028138052
-
Special issue on "electron transfer in coordination chemistry"
-
Special issue on "electron transfer in coordination chemistry". Coord. Chem. Rev. 2013, 257, (9-10).
-
(2013)
Coord. Chem. Rev.
, vol.257
, pp. 9-10
-
-
-
5
-
-
84859130321
-
-
a) R. González, M. C. R. Delgado, R. Caballero, P. De la Cruz, F. Langa, J. T. López Navarrete, J. Casado, J. Am. Chem. Soc. 2012, 134, 5675.
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 5675
-
-
González, R.1
Delgado, M.C.R.2
Caballero, R.3
De La Cruz, P.4
Langa, F.5
López Navarrete, J.T.6
Casado, J.7
-
6
-
-
84884532815
-
-
b) O.Gidron, Y. Diskin-Posner, M. Bendikov, Chem. Eur. J. 2013, 19, 13140.
-
(2013)
Chem. Eur. J.
, vol.19
, pp. 13140
-
-
Gidron, O.1
Diskin-Posner, Y.2
Bendikov, M.3
-
10
-
-
58149269355
-
-
S. F. Nelsen, K. P. Schultz, J. P. Telo, J. Phys. Chem. A 2008, 112, 12622.
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 12622
-
-
Nelsen, S.F.1
Schultz, K.P.2
Telo, J.P.3
-
12
-
-
0030759794
-
-
a) S. F. Nelsen, M. T. Ramm, J. J. Wolff, D. R. Powell, J. Am. Chem. Soc. 1997, 119, 6863.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 6863
-
-
Nelsen, S.F.1
Ramm, M.T.2
Wolff, J.J.3
Powell, D.R.4
-
13
-
-
52349096718
-
-
b) W. Zhang, W. Zhu, W.-Z. Liang, Y. Zhao, S. F. Nelsen, J. Phys. Chem. B 2008, 112, 11079.
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 11079
-
-
Zhang, W.1
Zhu, W.2
Liang, W.-Z.3
Zhao, Y.4
Nelsen, S.F.5
-
15
-
-
84863826905
-
-
b) L. G. Reuter, A. G. Bonn, A. C. Stückl, B. He, P. B. Pati, S. S. Zade, O. S. Wenger, J. Phys. Chem. A 2012, 116, 7345.
-
(2012)
J. Phys. Chem. A
, vol.116
, pp. 7345
-
-
Reuter, L.G.1
Bonn, A.G.2
Stückl, A.C.3
He, B.4
Pati, P.B.5
Zade, S.S.6
Wenger, O.S.7
-
16
-
-
0000103255
-
-
a) G. Grampp, M. C. B. L. Shohoji, B. J. Herold, Ber. Bunsenges. Phys. Chem. 1989, 93, 580.
-
(1989)
Ber. Bunsenges. Phys. Chem.
, vol.93
, pp. 580
-
-
Grampp, G.1
Shohoji, M.C.B.L.2
Herold, B.J.3
-
17
-
-
0000402862
-
-
b) G. Grampp, M. C. B. L. Shohoji, B. J. Herold, S. Steeken, Ber. Bunsenges. Phys. Chem. 1990, 94, 1507.
-
(1990)
Ber. Bunsenges. Phys. Chem.
, vol.94
, pp. 1507
-
-
Grampp, G.1
Shohoji, M.C.B.L.2
Herold, B.J.3
Steeken, S.4
-
18
-
-
0002182585
-
-
J. P. Telo, M. Shohoji, B. J. Herold, G. Grampp, J. Chem. Soc., Faraday Trans. 1992, 27, 47.
-
(1992)
J. Chem. Soc., Faraday Trans.
, vol.27
, pp. 47
-
-
Telo, J.P.1
Shohoji, M.2
Herold, B.J.3
Grampp, G.4
-
21
-
-
79953793748
-
-
a) S. P. Telo, A. S. Jalilov, S. F. Nelsen, J. Phys. Chem. A 2011, 115, 3016.
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 3016
-
-
Telo, S.P.1
Jalilov, A.S.2
Nelsen, S.F.3
-
22
-
-
80053388800
-
-
b) S. P. Telo, A. Moneo, M. Fernanda, N. N. Carvalho, S. F. Nelsen, J. Phys. Chem. A 2011, 115, 10738.
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 10738
-
-
Telo, S.P.1
Moneo, A.2
Fernanda, M.3
Carvalho, N.N.4
Nelsen, S.F.5
-
23
-
-
9644276653
-
-
S. F. Nelsen, M. N. Weaver, A. E. Konradsson, J. P. Telo, T. Clark, J. Am. Chem. Soc. 2004, 126, 15431.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 15431
-
-
Nelsen, S.F.1
Weaver, M.N.2
Konradsson, A.E.3
Telo, J.P.4
Clark, T.5
-
25
-
-
33845281037
-
-
M. A. Kahlow, T. J. Kang, P. F. Barbara, J. Phys. Chem. 1987, 91, 6452.
-
(1987)
J. Phys. Chem.
, vol.91
, pp. 6452
-
-
Kahlow, M.A.1
Kang, T.J.2
Barbara, P.F.3
-
26
-
-
0030218268
-
-
P. F. Barbara, T. J. Meyer, M. A. Ratner, J. Phys. Chem. 1996, 100, 13148.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 13148
-
-
Barbara, P.F.1
Meyer, T.J.2
Ratner, M.A.3
-
27
-
-
85028156810
-
-
A. Masuda, Y. Masuda, Y. Fukuda, J. Phys. Chem. A 1997, 101, 10213.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 10213
-
-
Masuda, A.1
Masuda, Y.2
Fukuda, Y.3
-
31
-
-
36048936361
-
-
M. N. Mikhailov, A. S. Mendkovich, M. B. Kuzminsky, A. I. Rusakov, J. Mol. Struct. (THEOCHEM) 2007, 847l, 103.
-
(2007)
J. Mol. Struct. (THEOCHEM)
, vol.847
, pp. 103
-
-
Mikhailov, M.N.1
Mendkovich, A.S.2
Kuzminsky, M.B.3
Rusakov, A.I.4
-
32
-
-
77955310066
-
-
M. Kayanuma, H. Hosoi, A. Furuya, Y. Masuda, K. Takano, Chem. Phys. Lett. 2010, 494, 139.
-
(2010)
Chem. Phys. Lett.
, vol.494
, pp. 139
-
-
Kayanuma, M.1
Hosoi, H.2
Furuya, A.3
Masuda, Y.4
Takano, K.5
-
33
-
-
79960912512
-
-
T. Ogawa, M. Sumita, Y. Shimodo, K. Morihashi, Chem. Phys. Lett. 2011, 511, 219.
-
(2011)
Chem. Phys. Lett.
, vol.511
, pp. 219
-
-
Ogawa, T.1
Sumita, M.2
Shimodo, Y.3
Morihashi, K.4
-
34
-
-
38749135848
-
-
N. Yoshida, T. Ishida, F. Hirata, J. Phys. Chem. B 2008, 112, 433.
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 433
-
-
Yoshida, N.1
Ishida, T.2
Hirata, F.3
-
35
-
-
84868230726
-
-
M. Renz, M. Kess, M. Deidenhofen, A. Klamt, M. Kaupp, J. Chem. Theory Comput. 2012, 8, 4189.
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 4189
-
-
Renz, M.1
Kess, M.2
Deidenhofen, M.3
Klamt, A.4
Kaupp, M.5
-
36
-
-
84896292201
-
-
M. Pederzoli, L. Sobek, J. Bravec, K. Kowalski, L. Cwiklik, J. Pittner, Chem. Phys. Lett. 2014, 597, 57.
-
(2014)
Chem. Phys. Lett.
, vol.597
, pp. 57
-
-
Pederzoli, M.1
Sobek, L.2
Bravec, J.3
Kowalski, K.4
Cwiklik, L.5
Pittner, J.6
-
37
-
-
84875842704
-
-
M. Ruckenbauer, M. Barbatti, T. Müller, H. Lischka, J. Phys. Chem. A 2013, 117, 2790.
-
(2013)
J. Phys. Chem. A
, vol.117
, pp. 2790
-
-
Ruckenbauer, M.1
Barbatti, M.2
Müller, T.3
Lischka, H.4
-
38
-
-
41449114763
-
-
a) F. Masson, T. Laino, I. Tavernelli, U. Rothlisberger, J. Hutter, J. Am. Chem. Soc. 2008, 130, 3443.
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 3443
-
-
Masson, F.1
Laino, T.2
Tavernelli, I.3
Rothlisberger, U.4
Hutter, J.5
-
39
-
-
84883713386
-
-
b) S. Farji, G. Groenhof, A. Dreuw, J. Phys. Chem. B 2013, 117, 10071.
-
(2013)
J. Phys. Chem. B
, vol.117
, pp. 10071
-
-
Farji, S.1
Groenhof, G.2
Dreuw, A.3
-
40
-
-
84875453333
-
-
c) W. F. Kellet, E. Brunk, B. J. Desai, A. A. Fedorov, S. C. Almo, J. A. Gerit, U. Rothlisberger, N. G. J. Richards, Biochemistry 2013, 52, 1842.
-
(2013)
Biochemistry
, vol.52
, pp. 1842
-
-
Kellet, W.F.1
Brunk, E.2
Desai, B.J.3
Fedorov, A.A.4
Almo, S.C.5
Gerit, J.A.6
Rothlisberger, U.7
Richards, N.G.J.8
-
41
-
-
0347170005
-
-
W. J. Hehre, R. Dicthfield, J. A. Pople, J. Chem. Phys. 1972, 56, 2257.
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 2257
-
-
Hehre, W.J.1
Dicthfield, R.2
Pople, J.A.3
-
42
-
-
84986468715
-
-
T. Clark, J. Chandrasekhar, G. W. Spitznagel, P. v. R. Schleyer, J. Comput. Chem. 1983, 4, 294.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 294
-
-
Clark, T.1
Chandrasekhar, J.2
Spitznagel, G.W.3
Schleyer, P.V.R.4
-
43
-
-
0039209924
-
-
A. Schäfer, C. Huber, R. Ahlrichs, J. Chem. Phys. 1994, 100, 5829.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 5829
-
-
Schäfer, A.1
Huber, C.2
Ahlrichs, R.3
-
45
-
-
0345491105
-
-
C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
47
-
-
0035111450
-
-
H. Lischka, R. Shepard, R. M. Pitzer, I. Shavitt, M. Dallos, T. Müller, P. G. Szalay, M. Seth, G. S. Kedziora, S. Yabushita, Z. Zhang, Phys. Chem. Chem. Phys. 2001, 3, 664.
-
(2001)
Phys. Chem. Chem. Phys.
, vol.3
, pp. 664
-
-
Lischka, H.1
Shepard, R.2
Pitzer, R.M.3
Shavitt, I.4
Dallos, M.5
Müller, T.6
Szalay, P.G.7
Seth, M.8
Kedziora, G.S.9
Yabushita, S.10
Zhang, Z.11
-
48
-
-
0003498752
-
-
H. Lischka, R. Shepard, I. Shavitt, R. M. Pitzer, M. Dallos, T. Müller, P. G. Szalay, F. B. Brown, R. Ahlrichs, H. J. Boehm, et al. COLUMBUS, an ab initio electronic structure program, release 7.0, 2012.
-
(2012)
COLUMBUS, An Ab Initio Electronic Structure Program, Release 7.0
-
-
Lischka, H.1
Shepard, R.2
Shavitt, I.3
Pitzer, R.M.4
Dallos, M.5
Müller, T.6
Szalay, P.G.7
Brown, F.B.8
Ahlrichs, R.9
Boehm, H.J.10
-
49
-
-
11344274827
-
-
Gaussian, Inc., Wallingford, CT
-
M. J. Frisch, et al. Gaussian 03, revision E.01, Gaussian, Inc., Wallingford, CT, 2004.
-
(2004)
Gaussian 03, Revision E.01
-
-
Frisch, M.J.1
-
51
-
-
69949118458
-
-
L. Martínez, R. Andrade, E. G. Birgin, J. M. Martínez, J. Comput. Chem. 2009, 30, 2157.
-
(2009)
J. Comput. Chem.
, vol.30
, pp. 2157
-
-
Martínez, L.1
Andrade, R.2
Birgin, E.G.3
Martínez, J.M.4
-
52
-
-
0029633186
-
AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules
-
D. A. Pearlman, D. A. Case, J. W. Caldwell, W. S. Ross, T. E. Cheatham, III, S. DeBolt, D. Ferguson, G. Seibel, P. Kollman, AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules, Comput. Phys. Commun. 1995, 91, 1.
-
(1995)
Comput. Phys. Commun.
, vol.91
, pp. 1
-
-
Pearlman, D.A.1
Case, D.A.2
Caldwell, J.W.3
Ross, W.S.4
Cheatham, T.E.5
DeBolt, S.6
Ferguson, D.7
Seibel, G.8
Kollman, P.9
-
54
-
-
84860072197
-
-
H. J. Böhm, J. R. McDonald, P. A. Madden, Mol. Phys. 1983, 49, 347.
-
(1983)
Mol. Phys.
, vol.49
, pp. 347
-
-
Böhm, H.J.1
McDonald, J.R.2
Madden, P.A.3
-
55
-
-
84986492477
-
-
B. H. Besler, K. M. Merz, Jr., P. A. Kollman, J. Comput. Chem. 1990, 11, 431.
-
(1990)
J. Comput. Chem.
, vol.11
, pp. 431
-
-
Besler, B.H.1
Merz, K.M.2
Kollman, P.A.3
-
58
-
-
34447622847
-
-
a) M. Barbatti, G. Granucci, M. Persico, M. Ruckenbauer, M. Vazdar, M. Eckert-Maksić, H. Lischka, J. Photochem. Photobiol. A: Chem. 2007, 190, 228.
-
(2007)
J. Photochem. Photobiol. A: Chem.
, vol.190
, pp. 228
-
-
Barbatti, M.1
Granucci, G.2
Persico, M.3
Ruckenbauer, M.4
Vazdar, M.5
Eckert-Maksić, M.6
Lischka, H.7
-
59
-
-
42649092827
-
-
Accessed July 19, 2014
-
b) M. Barbatti, G. Granucci, M. Ruckenbauer, F. Plasser, J. Pittner, M. Persico, H. Lischka, NEWTON-X: a package for Newtonian dynamics close to the crossing seam, version 1.3, www.newtonx.org, 2012. Accessed July 19, 2014.
-
(2012)
NEWTON-X: A Package for Newtonian Dynamics Close to the Crossing Seam, Version 1.3
-
-
Barbatti, M.1
Granucci, G.2
Ruckenbauer, M.3
Plasser, F.4
Pittner, J.5
Persico, M.6
Lischka, H.7
-
60
-
-
77954018078
-
-
M. Ruckenbauer, M. Barbatti, T. Müller, H. Lischka, J. Phys. Chem. A 2010, 114, 6757.
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 6757
-
-
Ruckenbauer, M.1
Barbatti, M.2
Müller, T.3
Lischka, H.4
-
63
-
-
0029403121
-
-
M. L. Horng, J. A. Gardecki, A. Papazyan, M. Maroncelli, J. Phys. Chem. 1995, 99, 17311.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 17311
-
-
Horng, M.L.1
Gardecki, J.A.2
Papazyan, A.3
Maroncelli, M.4
-
67
-
-
78651240182
-
-
a) J. P. Malhado, R. Spezia, J. T. Hynes, J. Phys. Chem. A 2011, 115, 3720.
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 3720
-
-
Malhado, J.P.1
Spezia, R.2
Hynes, J.T.3
-
68
-
-
84875848872
-
-
b) C. T. Chapman, W. Liang, X. Li, J. Phys. Chem. A 2013, 117, 2687.
-
(2013)
J. Phys. Chem. A
, vol.117
, pp. 2687
-
-
Chapman, C.T.1
Liang, W.2
Li, X.3
|