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Volumn 693, Issue 4, 2008, Pages 737-749

Ethylene addition to group-6 transition metal oxo complexes - A theoretical study

Author keywords

DFT calculations; Metal oxo complexes; Reaction mechanism

Indexed keywords

ADDITION REACTIONS; DISCRETE FOURIER TRANSFORMS; ETHYLENE; QUANTUM CHEMISTRY; REACTION RATES; TRANSITION METAL COMPOUNDS;

EID: 39049166968     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2007.12.008     Document Type: Article
Times cited : (13)

References (36)
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    • Note that the theoretical level of the calculations is slightly different from that in Refs. [7,8] and also from that in the present work. Also, the transition states for the reactions Os1 + ethylene → Os3a and Os1 + ethylene → Os3b were only found after publication of this work. They are reported in Ref. [7]
    • Cappel D., Tüllmann S., Loschen C., Holthausen M.C., and Frenking G. J. Organomet. Chem. 691 (2006) 4467 Note that the theoretical level of the calculations is slightly different from that in Refs. [7,8] and also from that in the present work. Also, the transition states for the reactions Os1 + ethylene → Os3a and Os1 + ethylene → Os3b were only found after publication of this work. They are reported in Ref. [7]
    • (2006) J. Organomet. Chem. , vol.691 , pp. 4467
    • Cappel, D.1    Tüllmann, S.2    Loschen, C.3    Holthausen, M.C.4    Frenking, G.5
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    • (a) M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, gaussian 03, Revision D.01, Gaussian Inc., Wallingford CT, 2004.
  • 28
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    • Molecular reaction modeling from ab initio molecular dynamics
    • Transition state modeling for catalysis. Truhlar D.G., and Morokuma K. (Eds), American Chemical Society, Washington, DC ISBN: 978 0841236103
    • Blöchl P.E., Senn H.M., and Togni A. Molecular reaction modeling from ab initio molecular dynamics. In: Truhlar D.G., and Morokuma K. (Eds). Transition state modeling for catalysis. ACS Symposium Series 721 (1999), American Chemical Society, Washington, DC 88-99 ISBN: 978 0841236103
    • (1999) ACS Symposium Series , vol.721 , pp. 88-99
    • Blöchl, P.E.1    Senn, H.M.2    Togni, A.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.