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Volumn 77, Issue 1, 2004, Pages 115-121

Density Functional Studies of [{Mo(η5-Cp)(CO) 2}2(μ-H)(μ-PMe2)], [{Moη 5-CP)(CO)2}2(μ-PMe2)]- and [{Mo(η 5-CP)(CO)3}2]: Do the Metal-Metal Bonds Exist?

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTATIONAL METHODS; DIMERS; GROUND STATE; PROBABILITY DENSITY FUNCTION;

EID: 0842327360     PISSN: 00092673     EISSN: None     Source Type: Journal    
DOI: 10.1246/bcsj.77.115     Document Type: Article
Times cited : (6)

References (52)
  • 1
    • 0842347688 scopus 로고    scopus 로고
    • Basic Aspects of Organic Synthesis with Transition Metals
    • ed by M. Beller and C. Bolm, Wiley-VCH
    • B. M. Trost, "Basic Aspects of Organic Synthesis with Transition Metals," in "Transition Metals for Organic Synthesis," ed by M. Beller and C. Bolm, Wiley-VCH (1998).
    • (1998) Transition Metals for Organic Synthesis
    • Trost, B.M.1
  • 42
    • 0842347686 scopus 로고    scopus 로고
    • note
    • The orbital energies (kcal/mol) of [LUMO], [HOMO], [HOMO-1], [HOMO-2], [HOMO-3] of 1: 82.120, -129.090, -133.371, -142.770, -143.476, respectively; the orbital energies (kcal/mol) of [LUMO], [HOMO], [HOMO-1], [HOMO-2], [HOMO-3] of 4: 12.550, -36.438, -45.432, -45.710, -54.901, respectively.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.