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Volumn 201, Issue 1-3, 2000, Pages 253-267

Density functional theory predictions for the binding of transition metal cations to pi systems: From acetylene to coronene and tribenzocyclyne

Author keywords

7+(Poronene); B3LYP; Density functional theory; Metal Pi bonding; Quantum chemistry M+(TBC)

Indexed keywords

ACETYLENE; ALKENE; ALKYNE; BENZENE; BENZYL DERIVATIVE; COPPER ION; ETHYLENE; METAL ION; NICKEL; WATER;

EID: 0033801388     PISSN: 13873806     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1387-3806(00)00221-9     Document Type: Article
Times cited : (88)

References (36)
  • 29
    • 4243670661 scopus 로고
    • Atomic Energy Levels, U.S. National Bureau of Standards Circular 467, NBS, Washington, DC
    • (1949) , vol.1-2
    • Moore, C.E.1
  • 36
    • 0007799248 scopus 로고    scopus 로고
    • EXCEL tables containing these frequencies are available from S.J.K. via e-mail to sjk5πo.cwru.edu, as are text files containing the optimized geometries in Cartesian coordinates


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.