-
6
-
-
0141795383
-
-
(e) Bauers, F. M.; Chowdhry, M. M.; Mecking, S. Macromolecules 2003, 36, 6711.
-
(2003)
Macromolecules
, vol.36
, pp. 6711
-
-
Bauers, F.M.1
Chowdhry, M.M.2
Mecking, S.3
-
7
-
-
0037622582
-
-
(f) Bauers, F. M.; Thomann, R.; Mecking, S. J. Am. Chem. Soc. 2003, 125, 8838.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 8838
-
-
Bauers, F.M.1
Thomann, R.2
Mecking, S.3
-
8
-
-
8744255913
-
-
(g) Zuideveld, M. A.; Wehrmann, P.; Röhr, C.; Mecking, S. Angew. Chem. 2004, 116, 887;
-
(2004)
Angew. Chem.
, vol.116
, pp. 887
-
-
Zuideveld, M.A.1
Wehrmann, P.2
Röhr, C.3
Mecking, S.4
-
10
-
-
6544241298
-
-
Johnson, L. K.; Killian, C. M.; Brookhart, M. J. Am. Chem. Soc. 1995, 117 (23), 6414-6415.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, Issue.23
, pp. 6414-6415
-
-
Johnson, L.K.1
Killian, C.M.2
Brookhart, M.3
-
16
-
-
84860949498
-
-
Hristov, I. H.; DeKock, R. L.; Anderson, G. D. W.; Göttker- Schnetmann, I.; Mecking, S.; Ziegler, T. To be submitted
-
Hristov, I. H.; DeKock, R. L.; Anderson, G. D. W.; Göttker- Schnetmann, I.; Mecking, S.; Ziegler, T. To be submitted.
-
-
-
-
17
-
-
0012918529
-
-
Division of Theoretical Chemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands
-
Amsterdam Density Functional program; Division of Theoretical Chemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands; www.scm.com.
-
Amsterdam Density Functional Program
-
-
-
18
-
-
0038023343
-
-
Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2 (1), 41-59.
-
(1973)
Chem. Phys.
, vol.2
, Issue.1
, pp. 41-59
-
-
Baerends, E.J.1
Ellis, D.E.2
Ros, P.3
-
19
-
-
0004124784
-
-
te Riele, H. J. J., Dekker, T. J., van de Horst, H. A., Eds.; Elsevier: Amsterdam
-
Ravenek, W. In Algorithms and Applications on Vector and Parallel Computers; te Riele, H. J. J., Dekker, T. J., van de Horst, H. A., Eds.; Elsevier: Amsterdam, 1987.
-
(1987)
Algorithms and Applications on Vector and Parallel Computers
-
-
Ravenek, W.1
-
20
-
-
84990642429
-
3-Dimensional numerical-integration for electronic-structure calculations
-
Boerrigter, P. M.; Velde, G. T.; Baerends, E. J. 3-Dimensional Numerical-Integration for Electronic-Structure Calculations. Int. J. Quantum Chem. 1988, 33 (2), 87-113.
-
(1988)
Int. J. Quantum Chem.
, vol.33
, Issue.2
, pp. 87-113
-
-
Boerrigter, P.M.1
Velde, G.T.2
Baerends, E.J.3
-
22
-
-
0000216001
-
-
Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
-
(1980)
Can. J. Phys.
, vol.58
, pp. 1200
-
-
Vosko, S.H.1
Wilk, L.2
Nusair, M.3
-
23
-
-
23244460838
-
-
Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Phys. Rev. B 1992, 46 (11), 6671-6687.
-
(1992)
Phys. Rev. B
, vol.46
, Issue.11
, pp. 6671-6687
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
24
-
-
30244483094
-
-
Snijders, J. G.; Baerends, E. J.; Ros, P. Mol. Phys. 1979, 38 (6), 1909-1929.
-
(1979)
Mol. Phys.
, vol.38
, Issue.6
, pp. 1909-1929
-
-
Snijders, J.G.1
Baerends, E.J.2
Ros, P.3
-
25
-
-
84961980743
-
-
Klamt, A.; Schuurmann, G. J Chem Soc., Perkin Trans. 2 1993, (5), 799-805.
-
(1993)
J Chem Soc., Perkin Trans. 2
, Issue.5
, pp. 799-805
-
-
Klamt, A.1
Schuurmann, G.2
-
28
-
-
0039047376
-
-
(a) Banerjee, A.; Adams, N.; Simons, J.; Shepard, R. J. Phys. Chem. 1985, 89, 52.
-
(1985)
J. Phys. Chem.
, vol.89
, pp. 52
-
-
Banerjee, A.1
Adams, N.2
Simons, J.3
Shepard, R.4
-
30
-
-
20644438873
-
-
Velde, G. T.; Bickelhaupt, F. M.; Baerends, E. J.; Guerra, C. F.; Van Gisbergen, S. J. A.; Snijders, J. G.; Ziegler, T. J. Comput. Chem. 2001, 22 (9), 931-967.
-
(2001)
J. Comput. Chem.
, vol.22
, Issue.9
, pp. 931-967
-
-
Velde, G.T.1
Bickelhaupt, F.M.2
Baerends, E.J.3
Guerra, C.F.4
Van Gisbergen, S.J.A.5
Snijders, J.G.6
Ziegler, T.7
-
31
-
-
0032509281
-
-
Woo, T. K.; Cavallo, L.; Ziegler, T. Theor. Chem. Acc. 1998, 100 (5-6), 307-313.
-
(1998)
Theor. Chem. Acc.
, vol.100
, Issue.5-6
, pp. 307-313
-
-
Woo, T.K.1
Cavallo, L.2
Ziegler, T.3
-
32
-
-
0029011701
-
-
Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M.; Ferguson, D. M.; Spellmeyer, D. C.; Fox, T.; Caldwell, J. W.; Kollman, P. A. J. Am. Chem. Soc. 1995, 117 (19), 5179-5197.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, Issue.19
, pp. 5179-5197
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz, K.M.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
33
-
-
20444482014
-
-
Ph.D. Thesis, University of Calgary, Canada
-
Woo, T. K. Ph.D. Thesis, University of Calgary, Canada, 1998.
-
(1998)
-
-
Woo, T.K.1
-
36
-
-
30244502446
-
-
(a) Capon, B.; Guo, B.-H.; Kwok, F. C.; Siddhanta, A.K.; Zucco, C. Acc. Chem. Res. 1988, 21, 135.
-
(1988)
Acc. Chem. Res.
, vol.21
, pp. 135
-
-
Capon, B.1
Guo, B.-H.2
Kwok, F.C.3
Siddhanta, A.K.4
Zucco, C.5
-
37
-
-
0030794887
-
-
(b) Nagaoka, M.; Suenobu, K.; Yamabe, T. J. A. Chem. Soc. 1997, 119, 8023.
-
(1997)
Chem. Soc.
, vol.119
, pp. 8023
-
-
Nagaoka, M.1
Suenobu, K.2
Yamabe, T.J.A.3
-
39
-
-
2542636632
-
-
Becerra, R.; Goldberg, N.; Cannady, J. P.; Almond, M. J.; Ogden, J. S.; Walsh, R. J. Am. Chem. Soc. 2004, 126, 6816-6824.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 6816-6824
-
-
Becerra, R.1
Goldberg, N.2
Cannady, J.P.3
Almond, M.J.4
Ogden, J.S.5
Walsh, R.6
-
41
-
-
0003487210
-
-
University Science Books: Mill Valley, CA
-
Collman, J. P.; Hegedus, L. S.; Norton, J. R.; Finke, R. G. Principles and Applications of Organotransition Metal Chemistry; University Science Books: Mill Valley, CA, 1987; p 203.
-
(1987)
Principles and Applications of Organotransition Metal Chemistry
, pp. 203
-
-
Collman, J.P.1
Hegedus, L.S.2
Norton, J.R.3
Finke, R.G.4
-
42
-
-
0000856114
-
-
Li, J.; Schreckenbach, G.; Ziegler, T. Inorg. Chem. 1995, 34, 3245.
-
(1995)
Inorg. Chem.
, vol.34
, pp. 3245
-
-
Li, J.1
Schreckenbach, G.2
Ziegler, T.3
-
43
-
-
20444456194
-
Enthalpy of formation of palladium black
-
(a) Enthalpy of formation of palladium black. Physical Chemistry Reference Data 1982, 11 (suppl. 2).
-
(1982)
Physical Chemistry Reference Data
, vol.11
, Issue.2 SUPPL.
-
-
-
45
-
-
0000627245
-
-
(a) Tawa, G. J.; Topol, I. A.; Burt, S. K.; Caldwell, R. A.; Rashin, A. A. J. Chem. Phys. 1998, 109 (12), 4852-4863.
-
(1998)
J. Chem. Phys.
, vol.109
, Issue.12
, pp. 4852-4863
-
-
Tawa, G.J.1
Topol, I.A.2
Burt, S.K.3
Caldwell, R.A.4
Rashin, A.A.5
-
46
-
-
0000301294
-
-
(b) Tissandier, M. D.; Cowen, K. A.; Feng, W. Y.; Gundlach, E.; Cohen, M. H.; Earhart, A. D.; Coe, J. V.; Tuttle, T. R. J. Phys. Chem. A 1998, 102 (40), 7787-7794.
-
(1998)
J. Phys. Chem. A
, vol.102
, Issue.40
, pp. 7787-7794
-
-
Tissandier, M.D.1
Cowen, K.A.2
Feng, W.Y.3
Gundlach, E.4
Cohen, M.H.5
Earhart, A.D.6
Coe, J.V.7
Tuttle, T.R.8
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