-
2
-
-
0025280836
-
-
a) T. DiMarco, A. Bobik, R. S. Wolfe, Annu. Rev. Biochem. 1990, 59, 355-394;
-
(1990)
Annu. Rev. Biochem
, vol.59
, pp. 355-394
-
-
DiMarco, T.1
Bobik, A.2
Wolfe, R.S.3
-
5
-
-
84940935551
-
-
Eds, K. M. Kadish, K.M. Smith, R. Guilard, Elsevier, San Diego, CA
-
a) S. W. Ragsdale in The Porphyrin Handbook (Eds.: K. M. Kadish, K.M. Smith, R. Guilard), Elsevier, San Diego, CA, 2003, Vol. 11, pp. 205-228;
-
(2003)
The Porphyrin Handbook
, vol.11
, pp. 205-228
-
-
Ragsdale, S.W.1
-
6
-
-
0035606344
-
-
b) A. Ohosh, T. Wondimagegn, H. Ryeng, Curr. Opin. Chem. Biol. 2001, 5, 744-750;
-
(2001)
Curr. Opin. Chem. Biol
, vol.5
, pp. 744-750
-
-
Ohosh, A.1
Wondimagegn, T.2
Ryeng, H.3
-
8
-
-
0030726657
-
-
U. Ermler, W. Grabase, S. Shima, M. Goubeaud, R. K. Thauer, Science 1997, 278, 1457-1462.
-
(1997)
Science
, vol.278
, pp. 1457-1462
-
-
Ermler, U.1
Grabase, W.2
Shima, S.3
Goubeaud, M.4
Thauer, R.K.5
-
9
-
-
0034819997
-
-
J. Telser, R. Davydov, Y.-C. Horng, S. W. Ragsdale, B. M. Hoffman, J. Am. Chem. Soc. 2001, 123, 5853-5860.
-
(2001)
J. Am. Chem. Soc
, vol.123
, pp. 5853-5860
-
-
Telser, J.1
Davydov, R.2
Horng, Y.-C.3
Ragsdale, S.W.4
Hoffman, B.M.5
-
10
-
-
29344456172
-
-
J. Harmer, C. Finazzo, R. Piskorski, C. Bauer, B. Jaun, E. C. Duin, M. Goenrich, R. K. Thauer, S. Van Doorslaer, A. Schweiger, J. Am. Chem. Soc. 2005, 127, 17744-17755.
-
(2005)
J. Am. Chem. Soc
, vol.127
, pp. 17744-17755
-
-
Harmer, J.1
Finazzo, C.2
Piskorski, R.3
Bauer, C.4
Jaun, B.5
Duin, E.C.6
Goenrich, M.7
Thauer, R.K.8
Van Doorslaer, S.9
Schweiger, A.10
-
11
-
-
0037473525
-
-
For additional ENDOR studies of MCR derivatives, see: a
-
For additional ENDOR studies of MCR derivatives, see: a) C. Finazzo, J. Harmer, C. Bauer, B. Jaun, E. C. Duin, F. Mahlert, M. Goenrich, R. K. Thauer, S. van Doorslaer, A. Schweiger, J. Am. Chem. Soc. 2003, 125, 4988-4989;
-
(2003)
J. Am. Chem. Soc
, vol.125
, pp. 4988-4989
-
-
Finazzo, C.1
Harmer, J.2
Bauer, C.3
Jaun, B.4
Duin, E.C.5
Mahlert, F.6
Goenrich, M.7
Thauer, R.K.8
van Doorslaer, S.9
Schweiger, A.10
-
12
-
-
0034639453
-
-
b) J. Telser, Y.-C. Horng, D. F. Becker, B.M. Hoffman, S.W. Ragsdale, J. Am. Chem. Soc. 2000, 122, 182-183.
-
(2000)
J. Am. Chem. Soc
, vol.122
, pp. 182-183
-
-
Telser, J.1
Horng, Y.-C.2
Becker, D.F.3
Hoffman, B.M.4
Ragsdale, S.W.5
-
13
-
-
33751157085
-
-
a) J. Seth, V. Palaniappan, D. F. Bocian, Inorg. Chem. 1995, 34, 2201-2206;
-
(1995)
Inorg. Chem
, vol.34
, pp. 2201-2206
-
-
Seth, J.1
Palaniappan, V.2
Bocian, D.F.3
-
14
-
-
0036958429
-
-
b) M. W. Renner, K. M. Barkigia, D. Melamed, J. P. Gisselbrecht, N. Y. Nelson, K. M. Smith, J. Fajer, Res. Chem. Interned. 2002, 28, 741-759.
-
(2002)
Res. Chem. Interned
, vol.28
, pp. 741-759
-
-
Renner, M.W.1
Barkigia, K.M.2
Melamed, D.3
Gisselbrecht, J.P.4
Nelson, N.Y.5
Smith, K.M.6
Fajer, J.7
-
15
-
-
33751017246
-
-
a) D. Hinderberger, R. R. Piskorski, M. Goenrich, R. K. Thauer, A. Schweiger, X Harmer, B. Jaun, Angew. Chem. 2006, 118, 3684-3689;
-
(2006)
Angew. Chem
, vol.118
, pp. 3684-3689
-
-
Hinderberger, D.1
Piskorski, R.R.2
Goenrich, M.3
Thauer, R.K.4
Schweiger, A.5
Harmer, X.6
Jaun, B.7
-
16
-
-
33746244090
-
-
Angew. Chem. Int. Ed. 2006, 45, 3602-3607;
-
(2006)
Angew. Chem. Int. Ed
, vol.45
, pp. 3602-3607
-
-
-
17
-
-
34548748159
-
-
b) N. Yang, M. Reiher, M. Wang, J. Harmer, E. C. Duin, J. Am. Chem. Soc. 2007, 129, 11028-11029;
-
(2007)
J. Am. Chem. Soc
, vol.129
, pp. 11028-11029
-
-
Yang, N.1
Reiher, M.2
Wang, M.3
Harmer, J.4
Duin, E.C.5
-
18
-
-
34548727458
-
-
c) M. Dey, J. Telser, R.C. Kunz, N. S. Lees, S.W. Ragsdale, B. M. Hoffman, J. Am. Chem. Soc. 2007, 129, 11030-11032.
-
(2007)
J. Am. Chem. Soc
, vol.129
, pp. 11030-11032
-
-
Dey, M.1
Telser, J.2
Kunz, R.C.3
Lees, N.S.4
Ragsdale, S.W.5
Hoffman, B.M.6
-
19
-
-
0034651209
-
-
a) A. Ghosh, T. Wondimagegn, E. Gonzalez, I. Halvorsen, J. Inorg. Biochem. 2000, 78, 79-82;
-
(2000)
J. Inorg. Biochem
, vol.78
, pp. 79-82
-
-
Ghosh, A.1
Wondimagegn, T.2
Gonzalez, E.3
Halvorsen, I.4
-
21
-
-
39149088623
-
-
For a recent follow-up study, see: c
-
For a recent follow-up study, see: c) J. Conradie, T. Wondimagegn, A. Ghosh, J. Phys. Chem. B 2008, 112, 1053-1056.
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 1053-1056
-
-
Conradie, J.1
Wondimagegn, T.2
Ghosh, A.3
-
22
-
-
0034641232
-
-
1F430), see: a) T. Wondimagegn, A. Ghosh, J. Am. Chem. Soc. 2000, 122, 6375-6381;
-
1F430), see: a) T. Wondimagegn, A. Ghosh, J. Am. Chem. Soc. 2000, 122, 6375-6381;
-
-
-
-
25
-
-
33747616214
-
-
K. L. Stone, R. K. Behan, M. T. Green, Proc. Natl. Acad. Sci. USA 2006, 103, 12307-12310.
-
(2006)
Proc. Natl. Acad. Sci. USA
, vol.103
, pp. 12307-12310
-
-
Stone, K.L.1
Behan, R.K.2
Green, M.T.3
-
26
-
-
0001281409
-
-
a) X T. Groves, R. Quinn, T. X McMurry, M. Nakamura, G. Lang, B. Boso, J. Am. Chem. Soc. 1985, 107, 354-360;
-
(1985)
J. Am. Chem. Soc
, vol.107
, pp. 354-360
-
-
Groves, X.T.1
Quinn, R.2
McMurry, T.X.3
Nakamura, M.4
Lang, G.5
Boso, B.6
-
27
-
-
33645855884
-
-
b) J. Conradie, I. H. Wasbotten, A. Ghosh, J. Inorg. Biochem. 2006, 100, 502-506.
-
(2006)
J. Inorg. Biochem
, vol.100
, pp. 502-506
-
-
Conradie, J.1
Wasbotten, I.H.2
Ghosh, A.3
-
28
-
-
1842450597
-
-
Such a formulation has been proposed by
-
Such a formulation has been proposed by: X L. Craft, Y.-C. Horng, S.W. Ragsdale, T. C. Brunold, J. Am. Chem. Soc. 2004, 126, 4068-4069.
-
(2004)
J. Am. Chem. Soc
, vol.126
, pp. 4068-4069
-
-
Craft, X.L.1
Horng, Y.-C.2
Ragsdale, S.W.3
Brunold, T.C.4
-
29
-
-
84885086420
-
-
For a discussion, see:, Eds, C. E. Dykstra, G. Frenking, K. S. Kim, G. E. Scuseria, Elsevier, Amsterdam
-
For a discussion, see: H. Nakano, T. Nakajima, T. Tsuneda, K. Hirao in Theory and Applications of Computational Chemistry: The First Forty Years (Eds.: C. E. Dykstra, G. Frenking, K. S. Kim, G. E. Scuseria), Elsevier, Amsterdam, 2005, pp. 507-557.
-
(2005)
Theory and Applications of Computational Chemistry: The First Forty Years
, pp. 507-557
-
-
Nakano, H.1
Nakajima, T.2
Tsuneda, T.3
Hirao, K.4
-
30
-
-
23244460838
-
-
J. P. Perdew, X A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D.X Singh, C. Fiolhais, Phys. Rev. B 1992, 46, 6671-6687; Erratum: X P. Perdew, X A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, C. Fiolhais, Phys. Rev. B 1993, 48,4978.
-
J. P. Perdew, X A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D.X Singh, C. Fiolhais, Phys. Rev. B 1992, 46, 6671-6687; Erratum: X P. Perdew, X A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, C. Fiolhais, Phys. Rev. B 1993, 48,4978.
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-
-
-
31
-
-
20644438873
-
-
The ADF program system was obtained from Scientific Computing and Modeling, Amsterdam (http://www.scm.com/). For a description of the methods used in ADF, see: G. T. Velde, F. M. Bickelhaupt, E. J. Baerends, C. F. Guerra, S. J. A. Van Gisbergen, J. G. Snijders, T. Ziegler, J. Comput. Chem. 2001, 22, 931-967.
-
The ADF program system was obtained from Scientific Computing and Modeling, Amsterdam (http://www.scm.com/). For a description of the methods used in ADF, see: G. T. Velde, F. M. Bickelhaupt, E. J. Baerends, C. F. Guerra, S. J. A. Van Gisbergen, J. G. Snijders, T. Ziegler, J. Comput. Chem. 2001, 22, 931-967.
-
-
-
-
32
-
-
0035836323
-
-
The OLYP functional is based on the OPTX exchange functional (N. C. Handy, A. J. Cohen, J. Mol. Phys. 2001, 99, 403-412)
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The OLYP functional is based on the OPTX exchange functional (N. C. Handy, A. J. Cohen, J. Mol. Phys. 2001, 99, 403-412)
-
-
-
-
33
-
-
0345491105
-
-
and the LYP correlation functional (C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 57, 785-789).
-
and the LYP correlation functional (C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1988, 57, 785-789).
-
-
-
-
34
-
-
0008188399
-
-
a) J. Stephens, F. J. Devlin, C. F. Chabalowski, M. J. Frisch, J. Phys. Chem. 1994, 98, 11 623-11627;
-
(1994)
J. Phys. Chem
, vol.98
, Issue.11
, pp. 623-11627
-
-
Stephens, J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
35
-
-
0142020914
-
-
b) M. A. Watson, N. C. Handy, A. J. Cohen, J. Chem. Phys. 2003, 119, 6475-6481;
-
(2003)
J. Chem. Phys
, vol.119
, pp. 6475-6481
-
-
Watson, M.A.1
Handy, N.C.2
Cohen, A.J.3
-
39
-
-
0030908498
-
-
For a convenient synthetic route to oxaporphyrins, see
-
For a convenient synthetic route to oxaporphyrins, see: A. Srinivasan, B. Sridevi, M. V. R. Reddy, S. J. Narayanan, T. K. Chandrashekar, Tetrahedron Lett. 1997, 38, 4149-4152.
-
(1997)
Tetrahedron Lett
, vol.38
, pp. 4149-4152
-
-
Srinivasan, A.1
Sridevi, B.2
Reddy, M.V.R.3
Narayanan, S.J.4
Chandrashekar, T.K.5
-
42
-
-
36248940205
-
-
For a similar difference between PW91 and B3LYP spin-density profiles for NO complexes, see: J. Conradie, A. Ohosh, J. Phys. Chem. B 2007, 111, 12621-12624.
-
For a similar difference between PW91 and B3LYP spin-density profiles for NO complexes, see: J. Conradie, A. Ohosh, J. Phys. Chem. B 2007, 111, 12621-12624.
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-
43
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55449094303
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-
DFT modeling studies of heme-thiolate proteins have shown that the thiolate spin density may be modulated by environmental factors such as a hydrogen-bond donor; for example, seeF. Ogliaro, S. Cohen, S. P. de Visser, S. Shaik, J. Am. Chem. Soc. 2000, 122, 12892-12893
-
DFT modeling studies of heme-thiolate proteins have shown that the thiolate spin density may be modulated by environmental factors such as a hydrogen-bond donor; for example, seeF. Ogliaro, S. Cohen, S. P. de Visser, S. Shaik, J. Am. Chem. Soc. 2000, 122, 12892-12893.
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