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Volumn 48, Issue 17, 2009, Pages 3104-3107

A phosphorus analogue of bis(η4-cyclobutadiene)iron(0)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON COMPLEXES; CYCLOBUTADIENES; SANDWICH COMPLEXES;

EID: 70349917583     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200805193     Document Type: Article
Times cited : (42)

References (32)
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    • DFT calculations were performed using ADF2007.01, E. J. Baerends, J. Autschbach, A. Bérces, F. M. Bickelhaupt, C. Bo, 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, J. A. Groeneveld, O. V. Gritsenko, M. Grüning, F. E. Harris, P. van den Hoek, C. R. Jacob, H. Jacobsen, L. Jensen, G. van Kessel, F. Kootstra, E. van Lenthe, 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, 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. Wiesenek-ker, S. K. Wolff, T. K. Woo, A. L. Yakovlev, T. Ziegler, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands. The exchange-correlation potential is based on the GGA
    • DFT calculations were performed using ADF2007.01, E. J. Baerends, J. Autschbach, A. Bérces, F. M. Bickelhaupt, C. Bo, 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, J. A. Groeneveld, O. V. Gritsenko, M. Grüning, F. E. Harris, P. van den Hoek, C. R. Jacob, H. Jacobsen, L. Jensen, G. van Kessel, F. Kootstra, E. van Lenthe, 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, 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. Wiesenek-ker, S. K. Wolff, T. K. Woo, A. L. Yakovlev, T. Ziegler, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands. The exchange-correlation potential is based on the GGA exchange functional OPTX (N. C. Handy, A. J. Cohen, Mol. Phys. 2001, 99, 403) in combination with the non-empirical PBE (J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 1996, 77, 3865; OPBE), and an uncontracted triple-zeta valence-plus-2- polarization STO (TZ2P) basis set was used for all atoms. See the Supporting Information for details.
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    • See the Supporting Information for details
    • See the Supporting Information for details.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.