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Volumn 834-836, Issue SPEC. ISS., 2007, Pages 258-261

An ab initio study of the molecular properties of the propyne-water hydrogen-bonded complex

Author keywords

Ab initio; Frequency and complexation; Hydrogen bonds; Propyne

Indexed keywords

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; HYDROGEN BONDS; INFRARED RADIATION; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS;

EID: 33947633462     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2006.11.029     Document Type: Article
Times cited : (7)

References (19)
  • 17
    • 33947656489 scopus 로고    scopus 로고
    • Gaussian 98W (revision A11.2), M.J. Frisch, G.W. Trucks, M. Head-Gordon, P.M.W. Gill, M.W. Wong, J.B. Foresman, B.G. Johnson, H.B. Schlegel, M.A. Robb, E.S. Replogle, R. Gomperts, J.L. Andres, K. Raghavachari, J.S. Binkley, C. Gonzales, R.L. Martin, D.J. Fox, J. Baker, J.J.P. Stewart, J.A. Pople, Gaussian, Inc., Pittsburgh, PA (2001).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.