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Volumn 823, Issue 1-3, 2007, Pages 65-73

Solvent effects on vibrational spectra of hydrogen-bonded complexes of propanedinitrile (malononitrile) and dimethyl sulfoxide (DMSO): Ab initio and DFT studies

Author keywords

Ab initio; DFT; Hydrogen bonded complexes; Solvent effects

Indexed keywords


EID: 35348834379     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.08.017     Document Type: Article
Times cited : (6)

References (27)
  • 3
    • 85033620024 scopus 로고
    • Ionic hydrogen bonds. Part II. Theoretical calculations
    • Liebman J.F., and Greenberg A. (Eds), VCH Publishers (Chapter 4)
    • Deakyne C.A. Ionic hydrogen bonds. Part II. Theoretical calculations. In: Liebman J.F., and Greenberg A. (Eds). Mol. Struct. Energ. (1985), VCH Publishers (Chapter 4)
    • (1985) Mol. Struct. Energ.
    • Deakyne, C.A.1
  • 11
    • 35348830518 scopus 로고    scopus 로고
    • Y.I. Binev, PhD Thesis. Bulgarian Academy of Sciences, Sofia, 2000.
  • 16
    • 35348825682 scopus 로고    scopus 로고
    • M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian 98, Revision A.7, Gaussian, Inc., Pittsburgh PA, 1998.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.