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70449512824
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Ziegler Adf2008.01 Scm Amsterdam The Netherlands
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E. J. Baerends, J. Autschbach, J. A. Berger, A. Bérces, F. M. Bickelhaupt, C. Bo, P. L. de Boeij, P. M. Boerrigter, L. Cavallo, D. P. Chong, L. Deng, R. M. Dickson, D. E. Ellis, M. van Faassen, L. Fan, T. H. Fischer, C. Fonseca Guerra, S. J. A. van Gisbergen, A. W. Götz, J. A. Groeneveld, O. V. Gritsenko, M. Grüning, F. E. Harris, P. van den Hoek, C. R. Jacob, H. Jacobsen, L. Jensen, E. S. Kadantsev, F. van Kessel, R. Klooster, F. Kootstra, M. V. Krykunov, E. van Lenthe, J. N. Louwen, D. A. McCormack, A. Michalak, J. Neugebauer, V. P. Nicu, V. P. Osinga, S. Patchkovskii, P. H. T. Philipsen, D. Post, C. C. Pye, W. Ravenek, J. I. Rodriguez, P. Romaniello, P. Ros, P. R. T. Schipper, G. Schreckenbach, J. G. Snijders, M. Solà, M. Swart, D. Swerhone, G. te Velde, P. Vernooijs, L. Versluis, L. Visscher, O. Visser, F. Wang, T. A. Wesolowski, E. M. van Wezenbeek, G. Wiesenekker, S. K. Wolff, T. K. Woo, A. L. Yakovlev and T. Ziegler, ADF2008.01, SCM, Amsterdam, The Netherlands
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Baerends, E.J.1
Autschbach, J.2
Berger, J.A.3
Bérces, A.4
Bickelhaupt, F.M.5
Bo, C.6
De Boeij, P.L.7
Boerrigter, P.M.8
Cavallo, L.9
Chong, D.P.10
Deng, L.11
Dickson, R.M.12
Ellis, D.E.13
Van Faassen, M.14
Fan, L.15
Fischer, T.H.16
Fonseca Guerra, C.17
Van Gisbergen, S.J.A.18
Götz, A.W.19
Groeneveld, J.A.20
Gritsenko, O.V.21
Grüning, M.22
Harris, F.E.23
Van Den Hoek, P.24
Jacob, C.R.25
Jacobsen, H.26
Jensen, L.27
Kadantsev, E.S.28
Van Kessel, F.29
Klooster, R.30
Kootstra, F.31
Krykunov, M.V.32
Van Lenthe, E.33
Louwen, J.N.34
McCormack, D.A.35
Michalak, A.36
Neugebauer, J.37
Nicu, V.P.38
Osinga, V.P.39
Patchkovskii, S.40
Philipsen, P.H.T.41
Post, D.42
Pye, C.C.43
Ravenek, W.44
Rodriguez, J.I.45
Romaniello, P.46
Ros, P.47
Schipper, P.R.T.48
Schreckenbach, G.49
Snijders, J.G.50
Solà, M.51
Swart, M.52
Swerhone, D.53
Te Velde, G.54
Vernooijs, P.55
Versluis, L.56
Visscher, L.57
Visser, O.58
Wang, F.59
Wesolowski, T.A.60
Van Wezenbeek, E.M.61
Wiesenekker, G.62
Wolff, S.K.63
Woo, T.K.64
Yakovlev, A.L.65
more..
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0034373424
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K. B. Lipkowitz and D. B. Boyd, Wiley-VCH, New York, pp. 1-86
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F. M. Bickelhaupt and E. J. Baerends, in Reviews in Computational Chemistry, ed., K. B. Lipkowitz, and, D. B. Boyd, Wiley-VCH, New York, 2000, vol. 15, pp. 1-86
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(2000)
Reviews in Computational Chemistry, Ed.
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Bickelhaupt, F.M.1
Baerends In, E.J.2
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41
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37649022903
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2 that form the electron pair bond. This gives rise to a small increase in orbital interaction and Pauli repulsion. These changes are, however, not large, as can be seen by comparing the results in Fig. 5 with those of the constrained analyses in Fig. 4
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W. J. van Zeist C. Fonseca Guerra F. M. Bickelhaupt J. Comput. Chem. 2008 29 312
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(2008)
J. Comput. Chem.
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Van Zeist, W.J.1
Fonseca Guerra, C.2
Bickelhaupt, F.M.3
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