-
1
-
-
0001225288
-
Electron transfer
-
Bertini, I., Gray, H. B., Lippard, S. J., Valentine, J. S., Eds.; University Science Books: Mill Valley, CA
-
Gray, H. B.; Ellis, W. R , Jr. Electron Transfer. In Bioinorganic Chemistry; Bertini, I., Gray, H. B., Lippard, S. J., Valentine, J. S., Eds.; University Science Books: Mill Valley, CA, 1994, p 315.
-
(1994)
Bioinorganic Chemistry
, pp. 315
-
-
Gray, H.B.1
Ellis Jr., W.R.2
-
2
-
-
0002658784
-
-
Springer-Verlag: Berlin Heidelberg
-
Frey, M. Structure and Bonding; Springer-Verlag: Berlin Heidelberg, 1998; Vol. 90, p 97.
-
(1998)
Structure and Bonding
, vol.90
, pp. 97
-
-
Frey, M.1
-
3
-
-
0002195056
-
Computational studies of redox potentials of electron-transfer proteins
-
Pratt, L. R., Hummer, G., Eds.; American Institute of Physics: New York
-
(a) Ichiye, T. Computational Studies of Redox Potentials of Electron-Transfer Proteins. In Simulation and Theory of Electrostatic Interactions in Solution; Pratt, L. R., Hummer, G., Eds.; American Institute of Physics: New York, 1999; p431.
-
(1999)
Simulation and Theory of Electrostatic Interactions in Solution
, pp. 431
-
-
Ichiye, T.1
-
4
-
-
0242336075
-
Simulations of electron-transfer proteins
-
Becker, O. M., MacKerell, A. D., Roux, B., Watanabe, M., Eds.; Marcel Dekker Inc.: New York
-
(b) Ichiye, T. Simulations of Electron-Transfer Proteins. In Computational Biochemistry and Biophysics; Becker, O. M., MacKerell, A. D., Roux, B., Watanabe, M., Eds.; Marcel Dekker Inc.: New York, 2000; p 393.
-
(2000)
Computational Biochemistry and Biophysics
, pp. 393
-
-
Ichiye, T.1
-
7
-
-
0001751647
-
-
Zeng, Q.; Smith, E. T.; Kurtz, D. M.; Scott, R. A. Inorg. Chim. Acta 1996, 242, 245.
-
(1996)
Inorg. Chim. Acta
, vol.242
, pp. 245
-
-
Zeng, Q.1
Smith, E.T.2
Kurtz, D.M.3
Scott, R.A.4
-
8
-
-
0028363975
-
-
Shen, B.; Jolie, D. R.; Strout, C. D.; Diller, T. C.; Armstrong, F. A.; Gorst, C. M.; La Mar, G. N.; Stephens, P. J.; Burgess, B. K. J. Biol. Chem. 1994, 269, 8564.
-
(1994)
J. Biol. Chem.
, vol.269
, pp. 8564
-
-
Shen, B.1
Jolie, D.R.2
Strout, C.D.3
Diller, T.C.4
Armstrong, F.A.5
Gorst, C.M.6
La Mar, G.N.7
Stephens, P.J.8
Burgess, B.K.9
-
11
-
-
0009746605
-
-
Cammacfc, R., Ed ; Academic Press: San Diego
-
Holm, R. H. In Advances in Inorganic Chemistry; Cammacfc, R., Ed ; Academic Press: San Diego, 1992: Vol. 38, p 1.
-
(1992)
Advances in Inorganic Chemistry
, vol.38
, pp. 1
-
-
Holm, R.H.1
-
13
-
-
0017389657
-
-
(b) Moura, I.; Brushci, M.; Moura, J. J. G.; Xavier, A. V. Biochem. Biophys. Res. Commun. 1977, 75, 1037.
-
(1977)
Biochem. Biophys. Res. Commun.
, vol.75
, pp. 1037
-
-
Moura, I.1
Brushci, M.2
Moura, J.J.G.3
Xavier, A.V.4
-
14
-
-
0028673449
-
-
(c) Moura, I.; Tavares, P.; Moura, J. J. G. Methods Enzymol. 1994, 243, 216.
-
(1994)
Methods Enzymol.
, vol.243
, pp. 216
-
-
Moura, I.1
Tavares, P.2
Moura, J.J.G.3
-
15
-
-
77956748167
-
-
Cammack, R., Ed.; Academic Press: San Diego
-
(d) Moura, I.; Pereira, A.; Tavares, P.; Moura, J. J. G. in Advances in Inorganic Chemistry. Cammack, R., Ed.; Academic Press: San Diego, 1999; Vol. 47, p 361.
-
(1999)
Advances in Inorganic Chemistry
, vol.47
, pp. 361
-
-
Moura, I.1
Pereira, A.2
Tavares, P.3
Moura, J.J.G.4
-
16
-
-
0025265852
-
-
(a) Eggink, G.; Engel, H.; Vriend, G.; Terpstra, P.; Witholt, B. J. Mol. Biol. 1990, 212, 135.
-
(1990)
J. Mol. Biol.
, vol.212
, pp. 135
-
-
Eggink, G.1
Engel, H.2
Vriend, G.3
Terpstra, P.4
Witholt, B.5
-
17
-
-
0030954667
-
-
(b) Gomes, C. M.; Silva, G.; Oliveira, S.; LeGall, J.; Liu, M. Y . Xavier, A. V.; Rodrigues-Pousada, C.: Teixeira, M. J. Mol. Biol. 1997, 272, 22502.
-
(1997)
J. Mol. Biol.
, vol.272
, pp. 22502
-
-
Gomes, C.M.1
Silva, G.2
Oliveira, S.3
LeGall, J.4
Liu, M.Y.5
Xavier, A.V.6
Rodrigues-Pousada, C.7
Teixeira, M.8
-
18
-
-
0037006991
-
-
Emerson. J. P.; Coulter, E. D.; Cabelli, D. E.; Phillips, R. S.; Kurtz, D. M., Jr. Biochemistry 2002, 41, 4348.
-
(2002)
Biochemistry
, vol.41
, pp. 4348
-
-
Emerson, J.P.1
Coulter, E.D.2
Cabelli, D.E.3
Phillips, R.S.4
Kurtz Jr., D.M.5
-
19
-
-
0033539568
-
-
(a) Eidsness, M. K.; Burden, A. E.; Richie, K. A.; Kurtz, Jr. D. M.; Scott, R. A.; Smith, E. T.; Ichiye, T.; Beard, B.; Min. T.-P.; Kang, C.-H. Biochemistry 1999, 38, 14803.
-
(1999)
Biochemistry
, vol.38
, pp. 14803
-
-
Eidsness, M.K.1
Burden, A.E.2
Richie, K.A.3
Kurtz Jr., D.M.4
Scott, R.A.5
Smith, E.T.6
Ichiye, T.7
Beard, B.8
Min, T.-P.9
Kang, C.-H.10
-
20
-
-
10644251650
-
-
(b) Min, T.-P.; Ergenekan, C. E.; Eidsness, M. K.; Ichiye, T.; Kang, C.-H. Protein Sci. 2001, 10, 463.
-
(2001)
Protein Sci.
, vol.10
, pp. 463
-
-
Min, T.-P.1
Ergenekan, C.E.2
Eidsness, M.K.3
Ichiye, T.4
Kang, C.-H.5
-
22
-
-
0017767437
-
-
(b) Lane, R. W.; Ibers, J. A.; Frankel, R. B.; Papaefthymiou, G. C.; Holm, R. H. J. Am. Chem. Soc. 1977, 99, 84.
-
(1977)
J. Am. Chem. Soc.
, vol.99
, pp. 84
-
-
Lane, R.W.1
Ibers, J.A.2
Frankel, R.B.3
Papaefthymiou, G.C.4
Holm, R.H.5
-
23
-
-
0000970361
-
-
(c) Laskowski, E. J.; Frankel, R. B.; Gillum, W. O.; Papaefthymiou, G. C.; Renaud, J.; Ibers, J. A.; Holm, R. H. J. Am. Chem. Soc. 1978, 100, 5322.
-
(1978)
J. Am. Chem. Soc.
, vol.100
, pp. 5322
-
-
Laskowski, E.J.1
Frankel, R.B.2
Gillum, W.O.3
Papaefthymiou, G.C.4
Renaud, J.5
Ibers, J.A.6
Holm, R.H.7
-
24
-
-
0000440349
-
-
Lovenberg, W., Ed.; Academic Press: New York
-
(d) Holm, R. H.; Ibers, J. A. In Iron-Sulfur Proteins; Lovenberg, W., Ed.; Academic Press: New York, 1977; Vol. 3, p 205.
-
(1977)
Iron-Sulfur Proteins
, vol.3
, pp. 205
-
-
Holm, R.H.1
Ibers, J.A.2
-
25
-
-
0038611557
-
-
(e) Werth, M. T.; Kurtz, D. M.; Howes, B. D.; Huynh, B. H. Inorg. Chem. 1989, 28, 1357.
-
(1989)
Inorg. Chem.
, vol.28
, pp. 1357
-
-
Werth, M.T.1
Kurtz, D.M.2
Howes, B.D.3
Huynh, B.H.4
-
26
-
-
0017000199
-
-
(f) Coucouvanis, D.; Swenson, D.; Baenziger, N. C.; Holah, D. G.; Kostikas, A.; Simopoulos, A.; Petrouleas, V. J. Am. Chem. Soc. 1976, 98, 5721.
-
(1976)
J. Am. Chem. Soc.
, vol.98
, pp. 5721
-
-
Coucouvanis, D.1
Swenson, D.2
Baenziger, N.C.3
Holah, D.G.4
Kostikas, A.5
Simopoulos, A.6
Petrouleas, V.7
-
27
-
-
0000550950
-
-
(g) Coucouvanis, D.; Swenson, D.; Baenzinger, N. C.; Murphy, C.; Holah, D. G.; Sfarnas, N.; Simopoulos, A.; Kostikas, A. J. Am. Chem. Soc. 1981, 103, 3350.
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 3350
-
-
Coucouvanis, D.1
Swenson, D.2
Baenzinger, N.C.3
Murphy, C.4
Holah, D.G.5
Sfarnas, N.6
Simopoulos, A.7
Kostikas, A.8
-
28
-
-
33947092561
-
-
(h) Swenson, D.; Baenziger, N. C.; Coucouvanis, D. J. Am. Chem. Soc. 1978, 100, 1932.
-
(1978)
J. Am. Chem. Soc.
, vol.100
, pp. 1932
-
-
Swenson, D.1
Baenziger, N.C.2
Coucouvanis, D.3
-
29
-
-
33751157092
-
-
(i) MacDonnell, F. M.; Ruhlandt-Senge, K.; Ellison, J. J.; Holm, R. H.; Power, P. P. Inorg. Chem. 1995, 34, 1815.
-
(1995)
Inorg. Chem.
, vol.34
, pp. 1815
-
-
MacDonnell, F.M.1
Ruhlandt-Senge, K.2
Ellison, J.J.3
Holm, R.H.4
Power, P.P.5
-
32
-
-
0029753015
-
-
(a) Swartz, P. D.; Beck, B. W.; Ichiye, T. Biophys. J. 1996, 71, 2958.
-
(1996)
Biophys. J.
, vol.71
, pp. 2958
-
-
Swartz, P.D.1
Beck, B.W.2
Ichiye, T.3
-
34
-
-
0028942712
-
-
(a) Gupta, N., Bonomi, F.; Kurtz, D. M., Jr.: Ravi, N., Wang, D L.; Huynh, B. H. Biochemistry 1995, 34, 3310.
-
(1995)
Biochemistry
, vol.34
, pp. 3310
-
-
Gupta, N.1
Bonomi, F.2
Kurtz Jr., D.M.3
Ravi, N.4
Wang, D.L.5
Huynh, B.H.6
-
35
-
-
0029949340
-
-
(b) de Maré, F.; Kurtz, D M., Jr.; Nordlund, P. Nat. Struct. Biol. 1996, 3, 539.
-
(1996)
Nat. Struct. Biol.
, vol.3
, pp. 539
-
-
De Maré, F.1
Kurtz Jr., D.M.2
Nordlund, P.3
-
36
-
-
0011509370
-
-
(a) Holm, R. H.; Kennepohl, P.; Solomon, E. I. Chem. Rev. 1996, 96, 2239.
-
(1996)
Chem. Rev.
, vol.96
, pp. 2239
-
-
Holm, R.H.1
Kennepohl, P.2
Solomon, E.I.3
-
37
-
-
10644293227
-
-
Personal communication
-
(b) Werth, M. T. Personal communication.
-
-
-
Werth, M.T.1
-
38
-
-
0000951850
-
-
(c) Bose, K.; Huang, J.; Haggerty, B. S.; Rheingold, A. L.; Salm, R. J.; Walters, M. A. Inorg. Chem. 1997, 36, 4596.
-
(1997)
Inorg. Chem.
, vol.36
, pp. 4596
-
-
Bose, K.1
Huang, J.2
Haggerty, B.S.3
Rheingold, A.L.4
Salm, R.J.5
Walters, M.A.6
-
39
-
-
0013107470
-
-
(a) Yang, Y.; Beck, B. W.; Shenoy, V. S.; Ichiye, T. J. Am. Chem. Soc. 1993, 115, 7439.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 7439
-
-
Yang, Y.1
Beck, B.W.2
Shenoy, V.S.3
Ichiye, T.4
-
40
-
-
0028998016
-
-
(b) Yelle, R. B.; Park, N. S.; Ichiye, T. Proteins 1995, 22, 154.
-
(1995)
Proteins
, vol.22
, pp. 154
-
-
Yelle, R.B.1
Park, N.S.2
Ichiye, T.3
-
43
-
-
0000940236
-
-
(a) Butcher, K. D.; Didziulis, S. V.; Briat, B.; Solomon, E. I. J. Am. Chem. Soc. 1990, 111, 2231.
-
(1990)
J. Am. Chem. Soc.
, vol.111
, pp. 2231
-
-
Butcher, K.D.1
Didziulis, S.V.2
Briat, B.3
Solomon, E.I.4
-
44
-
-
0001742260
-
-
(b) Butcher, K. D.; Gebhard, M. S.; Solomon, R. T. Inorg. Chem. 1990, 29, 2067.
-
(1990)
Inorg. Chem.
, vol.29
, pp. 2067
-
-
Butcher, K.D.1
Gebhard, M.S.2
Solomon, R.T.3
-
45
-
-
0032556205
-
-
(c) Rose, K.; Shadle, S. E.; Eidsness, M. K.; Kurtz, D. M. Jr.; Scott, R. A.; Hedman, B.; Hodgson, K. O.; Solomon, E. I. J. Am. Chem. Soc. 1998, 120, 10743.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 10743
-
-
Rose, K.1
Shadle, S.E.2
Eidsness, M.K.3
Kurtz Jr., D.M.4
Scott, R.A.5
Hedman, B.6
Hodgson, K.O.7
Solomon, E.I.8
-
46
-
-
0000626360
-
-
(a) Wang, L. S.; Ding, C. F.; Wang, X. B., Barlow, S. E. Rev. Sci. Instrum. 1999, 70, 1957,
-
(1999)
Rev. Sci. Instrum.
, vol.70
, pp. 1957
-
-
Wang, L.S.1
Ding, C.F.2
Wang, X.B.3
Barlow, S.E.4
-
47
-
-
4244069896
-
-
(b) Wang, X. B.; Ding, C. F.; Wang, L. S. Phys. Rev. Lett. 1998, 81, 3551,
-
(1998)
Phys. Rev. Lett.
, vol.81
, pp. 3551
-
-
Wang, X.B.1
Ding, C.F.2
Wang, L.S.3
-
48
-
-
0032575782
-
-
(c) Wang, L. S.; Ding, C. F., Wang, X. B.; Nicholas, J. B. Phys. Rev. Lett. 1998, 81, 2667,
-
(1998)
Phys. Rev. Lett.
, vol.81
, pp. 2667
-
-
Wang, L.S.1
Ding, C.F.2
Wang, X.B.3
Nicholas, J.B.4
-
49
-
-
0033593688
-
-
(d) Ding, C. F.; Wang, X. B.; Wang, L. S. J. Chem. Phys. 1999, 110, 3635,
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 3635
-
-
Ding, C.F.1
Wang, X.B.2
Wang, L.S.3
-
50
-
-
0000512404
-
-
(e) Wang, X. B.; Ding, C. F.; Nicholas, J. B.; Dixon, D. A.; Wang, L. S. J. Phys. Chem. A 1999, 103, 3423,
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 3423
-
-
Wang, X.B.1
Ding, C.F.2
Nicholas, J.B.3
Dixon, D.A.4
Wang, L.S.5
-
57
-
-
0038664374
-
-
Yang, X ; Wang, X. B., Fu, Y. J.; Wang, L. S. J. Phys. Chem. A 2003, 107, 1703.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 1703
-
-
Yang, X.1
Wang, X.B.2
Fu, Y.J.3
Wang, L.S.4
-
58
-
-
0000231445
-
-
(a) Norman, J. G., Jr.; Ryan, P. B.; Noodleman, L. J. Am Chem. Soc. 1980, 102, 4279.
-
(1980)
J. Am Chem. Soc.
, vol.102
, pp. 4279
-
-
Norman Jr., J.G.1
Ryan, P.B.2
Noodleman, L.3
-
59
-
-
33845378908
-
-
(b) Noodleman, L.; Norman, J. G., Jr.; Osborne, J. H.; Aizman, A.; Case, D. A. J. Am. Chem. Soc. 1985, 107, 3418.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3418
-
-
Noodleman, L.1
Norman Jr., J.G.2
Osborne, J.H.3
Aizman, A.4
Case, D.A.5
-
60
-
-
0000318315
-
-
(c) Mouesca, J.-M ; Chen, J. L.; Noodleman, L.; Bashford, D.; Case, D. A. J. Am. Chem. Soc. 1994, 116, 11898.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 11898
-
-
Mouesca, J.-M.1
Chen, J.L.2
Noodleman, L.3
Bashford, D.4
Case, D.A.5
-
61
-
-
0029467008
-
-
(d) Noodleman, L.; Peng, C. Y.; Case, D. A.; Mouesca, J.-M. Coord. Chem. Rev. 1995, 144, 199.
-
(1995)
Coord. Chem. Rev.
, vol.144
, pp. 199
-
-
Noodleman, L.1
Peng, C.Y.2
Case, D.A.3
Mouesca, J.-M.4
-
63
-
-
0242538339
-
-
(b) Beck, B. W.; Koerner, J. B.; Ichiye, T. J. Phys. Chem. B 1999, 104, 8006.
-
(1999)
J. Phys. Chem. B
, vol.104
, pp. 8006
-
-
Beck, B.W.1
Koerner, J.B.2
Ichiye, T.3
-
67
-
-
0035926249
-
-
(b) Sigfridsson, E.; Olsson, M. H. M.; Ryde, U. Inorg. Chem. 2001, 40, 2509.
-
(2001)
Inorg. Chem.
, vol.40
, pp. 2509
-
-
Sigfridsson, E.1
Olsson, M.H.M.2
Ryde, U.3
-
74
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. 1988, B37, 785.
-
(1988)
Phys. Rev.
, vol.B37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
78
-
-
33751157092
-
-
(a) MacDonnell, F. M ; Ruhlandt-Senge, K.; Ellison, J. J., Holm, R. H.; Power, P. P. Inorg. Chem. 1995, 34, 1815.
-
(1995)
Inorg. Chem.
, vol.34
, pp. 1815
-
-
MacDonnell, F.M.1
Ruhlandt-Senge, K.2
Ellison, J.J.3
Holm, R.H.4
Power, P.P.5
-
79
-
-
0017767437
-
-
(b) Lane, R. W.; Ibers. J. A., Frankel, R. B., Papaefthymiou, G. C.; Holm, R. H. J. Am. Chem Soc. 1977, 99, 84.
-
(1977)
J. Am. Chem Soc.
, vol.99
, pp. 84
-
-
Lane, R.W.1
Ibers, J.A.2
Frankel, R.B.3
Papaefthymiou, G.C.4
Holm, R.H.5
-
80
-
-
0000435449
-
-
(c) Sellmann, D.; Geck, M.; Knoch, F.; Ritter, G . Dengler, J. J. Am. Chem. Soc. 1991, 113, 3819.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 3819
-
-
Sellmann, D.1
Geck, M.2
Knoch, F.3
Ritter, G.4
Dengler, J.5
-
81
-
-
85065512686
-
-
(d) Sellmann, D.; Becker, T.; Knoch, F. Chem. Ber. 1996, 129, 509.
-
(1996)
Chem. Ber.
, vol.129
, pp. 509
-
-
Sellmann, D.1
Becker, T.2
Knoch, F.3
-
82
-
-
0001508425
-
-
(a) Rassolov, V.; Pople, J. A.; Ratner, M.; Windus, T. L. J. Chem. Phys. 1998, 109, 1223.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 1223
-
-
Rassolov, V.1
Pople, J.A.2
Ratner, M.3
Windus, T.L.4
-
83
-
-
33645949559
-
-
(b) Francl, M. M.; Petro, W. J.; Hehre, W. J.; Binkley, J. S.; Gordon, M. S.; DeFrees, D. J.; Pople, J. A. J. Chem Phys. 1982, 77, 3654.
-
(1982)
J. Chem Phys.
, vol.77
, pp. 3654
-
-
Francl, M.M.1
Petro, W.J.2
Hehre, W.J.3
Binkley, J.S.4
Gordon, M.S.5
DeFrees, D.J.6
Pople, J.A.7
-
85
-
-
84986468715
-
-
(a) Clark, T.; Chandrasekhar, J.; Schleyer, P. v R. J. Comput. Chem. 1983, 4, 294.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 294
-
-
Clark, T.1
Chandrasekhar, J.2
Schleyer, P.V.R.3
-
86
-
-
26844534384
-
-
(b) Krishnam, R.; Binkley, J. S.; Seeger, R., Pople, J. A. J. Chem. Phys. 1980, 72, 650.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnam, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
87
-
-
0000712790
-
-
(c) Gill, P. M. W.; Johnson, B. G.; Pople, J. A.; Frisch, M. J. Chem. Phys. Lett 1992, 197, 499.
-
(1992)
Chem. Phys. Lett
, vol.197
, pp. 499
-
-
Gill, P.M.W.1
Johnson, B.G.2
Pople, J.A.3
Frisch, M.J.4
-
90
-
-
36549098398
-
-
(c) Scuseria, G. E.; Janssen, C. L.; Schaefer, H. F., III J. Chem. Phys. 1988, 89, 7382.
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 7382
-
-
Scuseria, G.E.1
Janssen, C.L.2
Schaefer III, H.F.3
-
92
-
-
0011682081
-
-
(e) Pople, J. A.; Head-Gordon, M.; Raghavachan, K. J. Chem. Phys. 1987, 87, 5968.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 5968
-
-
Pople, J.A.1
Head-Gordon, M.2
Raghavachan, K.3
-
94
-
-
26444507215
-
-
(b) Salter, E. A.; Trucks, G. W.; Bartlett, R J J. Chem. Phys. 1989, 90, 1752.
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1752
-
-
Salter, E.A.1
Trucks, G.W.2
Bartlett, R.J.3
-
96
-
-
0004133516
-
-
Gaussian, Inc.
-
(b) Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E..; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N. ; Strain, M. C.; Farkas, O.; Tomasi, J ; Barone, V.; Cossi, M.; Cammi, R., Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J., Ortiz, J. V ; Stefanov, B B. ; Liu, G., Liashenko, A ; Piskorz, P.; Komaromi, I., Gomperts, R., Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng C. Y.; Nanayakkara, A.; Gonzalez, C ; Challacombe, M.; Gill, P. M. W. Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.6; Gaussian, Inc.; Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision A.6
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery, J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
Pittsburgh, P.A.58
more..
-
97
-
-
0004321666
-
-
Theoretical Chemistry Institute, University of Wisconsin: Madison
-
Glendening, E. D.; Badenhoop, J. K.; Reed, A. E.; Carpenter, J. E.; Weinhold, F. NBO 4.M: Theoretical Chemistry Institute, University of Wisconsin: Madison, 1999.
-
(1999)
NBO 4.M
-
-
Glendening, E.D.1
Badenhoop, J.K.2
Reed, A.E.3
Carpenter, J.E.4
Weinhold, F.5
-
98
-
-
84981648542
-
-
(a) Bernholdt, D. E.; Apra, E.; Fruchtl, H. A.; Guest, M. F ; Harrison, R. J ; Kendall, R. A.; Kutteh, R. A.; Long, X.; Nicholas, J. B., Nichols, J. A. ; Taylor, H. L.; Wong, A. T.; Fann, G. I.; Littlefield, R. J.; Nieplocha, J. Int. J. Quantum Chem. Symposium 1995, 29, 475.
-
(1995)
Int. J. Quantum Chem. Symposium
, vol.29
, pp. 475
-
-
Bernholdt, D.E.1
Apra, E.2
Fruchtl, H.A.3
Guest, M.F.4
Harrison, R.J.5
Kendall, R.A.6
Kutteh, R.A.7
Long, X.8
Nicholas, J.B.9
Nichols, J.A.10
Taylor, H.L.11
Wong, A.T.12
Fann, G.I.13
Littlefield, R.J.14
Nieplocha, J.15
-
99
-
-
13444287659
-
-
Pacific Northwest National Laboratory: Richland, WA 99352-0999
-
(b) Black, G.; Chase, J.; Didier, B.; Feller, D.; Gracio, D.; Jones, D., Jurrus, E.; Keller, T.; Matsumoto, S.; Mendoza, E.; Nordwall, D.; Olander, M.; Palmer, B.; Peden, N.; Schuchardt, K.; Stephan, E.; Taylor, H.; Thomas, G.; Vorpagel, E.; Windus, T. Ecce, A Problem Solving Environment for Computational Chemistry, Software Version 1.5; Pacific Northwest National Laboratory: Richland, WA 99352-0999, 2000.
-
(2000)
A Problem Solving Environment for Computational Chemistry, Software Version 1.5
-
-
Black, G.1
Chase, J.2
Didier, B.3
Feller, D.4
Gracio, D.5
Jones, D.6
Jurrus, E.7
Keller, T.8
Matsumoto, S.9
Mendoza, E.10
Nordwall, D.11
Olander, M.12
Palmer, B.13
Peden, N.14
Schuchardt, K.15
Stephan, E.16
Taylor, H.17
Thomas, G.18
Vorpagel, E.19
Ecce, W.T.20
more..
-
103
-
-
0000989147
-
-
(b) Beinert, H. B.; Kennedy, M. C.; Strout, C. D. Chem Rev 1996, 96, 2335.
-
(1996)
Chem Rev
, vol.96
, pp. 2335
-
-
Beinert, H.B.1
Kennedy, M.C.2
Strout, C.D.3
-
104
-
-
18744363663
-
-
Yang, X.; Wang, X. B.; Niu, S. Q.; Pickett, C. J.; Ichiye, T.; Wang, L. S. Phy. Rev. Lett. 2002, 89, 163401.
-
(2002)
Phy. Rev. Lett.
, vol.89
, pp. 163401
-
-
Yang, X.1
Wang, X.B.2
Niu, S.Q.3
Pickett, C.J.4
Ichiye, T.5
Wang, L.S.6
|