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Volumn 22, Issue 13, 2003, Pages 2758-2765

Energy partitioning analysis of the bonding in L2TM-C2H2 and L2TM-C2H4 (TM = Ni, Pd, Pt; L2 = (PH3)2, (PMe3)2, H2PCH2PH2, H2P(CH2)2PH2)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DISSOCIATION; ELECTRONS; ELECTROSTATICS; ETHYLENE; PHASE EQUILIBRIA; PROBABILITY DENSITY FUNCTION;

EID: 0038537546     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om0301637     Document Type: Article
Times cited : (85)

References (77)
  • 3
    • 0002699938 scopus 로고    scopus 로고
    • For a recent examination of the DCD model with modern quantum chemical methods see: (a) Frenking, G. J. Organomet. Chem. 2001, 635, 9.
    • (2001) Organomet. Chem. , vol.635 , pp. 9
    • Frenking, G.J.1
  • 5
    • 0037523389 scopus 로고    scopus 로고
    • note
    • The π symmetry assignment of the donor orbital of the ligand refers to the symmetry of the free ethene. In the complex, the π orbital of the free ethene has σ symmetry.
  • 42
    • 0003990093 scopus 로고
    • Internal Report (in Dutch); Vrije Universiteit Amsterdam: The Netherlands
    • Krijn, J.; Baerends, E. J. Fit Functions in the HFS-Method; Internal Report (in Dutch); Vrije Universiteit Amsterdam: The Netherlands, 1984.
    • (1984) Fit Functions in the HFS-Method
    • Krijn, J.1    Baerends, E.J.2
  • 77
    • 0037522327 scopus 로고    scopus 로고
    • note
    • x ligands is nearly undisturbed by the dpe ligand, and thus, the orbital interactions can safely be divided into ω and φ contributions.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.