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Volumn 25, Issue 18, 2006, Pages 4260-4268

Oxidative addition versus dehydrogenation of methane, silane, and heavier AH4 congeners reacting with palladium

Author keywords

[No Author keywords available]

Indexed keywords

ADDITION REACTIONS; CHEMICAL BONDS; DEHYDROGENATION; ELECTROSTATICS; PALLADIUM; PROBABILITY DENSITY FUNCTION; SILANES;

EID: 33748532482     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om060274g     Document Type: Article
Times cited : (38)

References (72)
  • 43
    • 0032221816 scopus 로고    scopus 로고
    • SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
    • Fonseca Guerra, C.; Snijders, J. G.; te Velde, G.; Baerends, E. J. Theor. Chem. Acc. 1998, 99, 391. SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http://www.scm.com.
    • (1998) Theor. Chem. Acc. , vol.99 , pp. 391
    • Fonseca Guerra, C.1    Snijders, J.G.2    Te Velde, G.3    Baerends, E.J.4
  • 60
  • 61
    • 33748570518 scopus 로고    scopus 로고
    • note
    • Reaction energies (i.e., without enthalpy and zero-point vibrational energy corrections) differ only a few kcal/mol from the enthalpies, but they show a steady, monotonic increase in exothermicity along palladium-induced C-H through Pb-H bond activation.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.