-
2
-
-
0042048212
-
-
Pichjerra, F.; Hotheinrich, D.; Zangrando, E.; Lipperte, B.; Ranacciao, L. J. Bio. Inorg. Chem. 1996, 1, 319.
-
(1996)
Bio. Inorg. Chem.
, vol.1
, pp. 319
-
-
Pichjerra, F.1
Hotheinrich, D.2
Zangrando, E.3
Lipperte, B.4
Ranacciao, L.J.5
-
3
-
-
0000245686
-
-
Sponer, J.; Sponer, J. E.; Gorb, L.; Leszczynski, J.; Lippen, B. J. Phys. Chem. A 1999, 103, 11406.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 11406
-
-
Sponer, J.1
Sponer, J.E.2
Gorb, L.3
Leszczynski, J.4
Lippen, B.5
-
4
-
-
0343517194
-
-
Muller, J.; Sigel, R. K. O.; Lippert, B. J. Inorg. Biochem. 2000, 79, 261.
-
(2000)
J. Inorg. Biochem.
, vol.79
, pp. 261
-
-
Muller, J.1
Sigel, R.K.O.2
Lippert, B.3
-
5
-
-
0034291480
-
-
Berlin, Y. A.; Burin, A. L.; Ratner, M. A. Superlattices Microstruct. 2000, 28, 241.
-
(2000)
Superlattices Microstruct.
, vol.28
, pp. 241
-
-
Berlin, Y.A.1
Burin, A.L.2
Ratner, M.A.3
-
6
-
-
0027769742
-
-
Murphy, C. J.; Arkin, M. R.; Jenkins, Y.; Ghatlia, N. D.; Bossmann, S. H.; Turro, N. J.; Barton, J. K. Science 1993, 262, 1025.
-
(1993)
Science
, vol.262
, pp. 1025
-
-
Murphy, C.J.1
Arkin, M.R.2
Jenkins, Y.3
Ghatlia, N.D.4
Bossmann, S.H.5
Turro, N.J.6
Barton, J.K.7
-
7
-
-
0034249870
-
-
Sponer, J.; Sabat, M.; Gorb, L.; Leszczynski, J.; Lippert, B.; Hobza, P. J. Phys. Chem. B 2000, 104, 7535.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 7535
-
-
Sponer, J.1
Sabat, M.2
Gorb, L.3
Leszczynski, J.4
Lippert, B.5
Hobza, P.6
-
8
-
-
0034018494
-
-
Burda, J. V.; Šponer, J.; Leszczynski, J. J. Biol. Inorg. Chem. 2000, 5, 178.
-
(2000)
J. Biol. Inorg. Chem.
, vol.5
, pp. 178
-
-
Burda, J.V.1
Šponer, J.2
Leszczynski, J.3
-
9
-
-
0035944462
-
-
Russo, N.; Toscano, M.; Grand, A. J. Am. Chem. Soc. 2001, 123, 10272.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 10272
-
-
Russo, N.1
Toscano, M.2
Grand, A.3
-
10
-
-
0042378700
-
-
Pedersen, D. B.; Simard, B.; Martinez, A.; Moussatova, A. J. Phys. Chem. A 2003, 107, 6464.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 6464
-
-
Pedersen, D.B.1
Simard, B.2
Martinez, A.3
Moussatova, A.4
-
11
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; 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.8; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision A.8
-
-
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 Jr., 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
more..
-
14
-
-
26844534384
-
-
(a) Krishnan, R.; Binkley, J. S.; Seeger, R.; Pople, J. A. J. Chem. Phys. 1980, 72, 650.
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
15
-
-
84986468715
-
-
(b) Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; Schleyer, P. v. R. 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
-
16
-
-
36549091139
-
-
(c) Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 1984, 80, 3265.
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 3265
-
-
Frisch, M.J.1
Pople, J.A.2
Binkley, J.S.3
-
18
-
-
0003454658
-
-
April; Molecular Simulations, Inc.; San Diego, CA, 1997
-
Cerius2, Force Field-Based Simulations, April 1997; Molecular Simulations, Inc.; San Diego, CA, 1997.
-
(1997)
Cerius2, Force Field-Based Simulations
-
-
-
19
-
-
0004215507
-
-
Swiss Center for Scientific Computing: Manno, Switzerland
-
Flükiger, P.; Lüthi, H. P.; Portmann, S.; Weber, J. MOLEKEL 4.2; Swiss Center for Scientific Computing: Manno, Switzerland, 2000-2002.
-
(2000)
MOLEKEL 4.2
-
-
Flükiger, P.1
Lüthi, H.P.2
Portmann, S.3
Weber, J.4
-
22
-
-
0003948909
-
-
Cioslowski, J., Ed.; Kluwer: Dordrecht, The Netherlands
-
Ferreira, A. M.; Seabra, G.; Dolgounitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V. In Quantum-Mechanical Prediction of Thermochemical Data; Cioslowski, J., Ed.; Kluwer: Dordrecht, The Netherlands, 2001; Vol. 131.
-
(2001)
Quantum-Mechanical Prediction of Thermochemical Data
, vol.131
-
-
Ferreira, A.M.1
Seabra, G.2
Dolgounitcheva, O.3
Zakrzewski, V.G.4
Ortiz, J.V.5
-
23
-
-
0037434797
-
-
(a) Dolgounitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V. J. Phys. Chem. A 2003, 107, 822.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 822
-
-
Dolgounitcheva, O.1
Zakrzewski, V.G.2
Ortiz, J.V.3
-
24
-
-
39449129759
-
-
(b) Dolgounitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V. Int. J. Quantum Chem. 2002, 90, 1547.
-
(2002)
Int. J. Quantum Chem.
, vol.90
, pp. 1547
-
-
Dolgounitcheva, O.1
Zakrzewski, V.G.2
Ortiz, J.V.3
-
25
-
-
0037068850
-
-
(c) Dolgounitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V. J. Phys. Chem. A 2002, 106, 8411.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 8411
-
-
Dolgounitcheva, O.1
Zakrzewski, V.G.2
Ortiz, J.V.3
-
26
-
-
0035960243
-
-
(d) Dolgounitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V. J. Phys. Chem. A 2001, 105, 8782.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 8782
-
-
Dolgounitcheva, O.1
Zakrzewski, V.G.2
Ortiz, J.V.3
-
27
-
-
0034645605
-
-
(e) Dolgounitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V. J. Am. Chem. Soc. A 2000, 122, 12304.
-
(2000)
J. Am. Chem. Soc. A
, vol.122
, pp. 12304
-
-
Dolgounitcheva, O.1
Zakrzewski, V.G.2
Ortiz, J.V.3
-
28
-
-
0034319809
-
-
(f) Dolgounitcheva, O.; Zakrzewski, V. G.; Ortiz, J. V. Int. J. Quantum Chem. 2000, 80, 831.
-
(2000)
Int. J. Quantum Chem.
, vol.80
, pp. 831
-
-
Dolgounitcheva, O.1
Zakrzewski, V.G.2
Ortiz, J.V.3
-
29
-
-
0004203089
-
-
CAOS/CAMM Center: Nijmegen, The Netherlands
-
Schaftenaar, G. MOLDEN 3.4; CAOS/CAMM Center: Nijmegen, The Netherlands, 1998.
-
(1998)
MOLDEN 3.4
-
-
Schaftenaar, G.1
-
30
-
-
0037067018
-
-
Pedersen, D. B.; Zgierski, M. Z.; Denommee, S.; Simard, B. J. Am. Chem. Soc. 2002, 124, 6686.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 6686
-
-
Pedersen, D.B.1
Zgierski, M.Z.2
Denommee, S.3
Simard, B.4
-
31
-
-
0343517194
-
-
Muller, J.; Sigel, R. K. O.; Lippert, B. J. Inorg. Biochem. 2000, 79, 261.
-
(2000)
J. Inorg. Biochem.
, vol.79
, pp. 261
-
-
Muller, J.1
Sigel, R.K.O.2
Lippert, B.3
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