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Volumn 477, Issue 4-6, 2009, Pages 249-254

Car-Parrinello molecular dynamics and density functional theory simulations of infrared spectra for acetic acid monomers and cyclic dimers

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; CAR-PARRINELLO MOLECULAR DYNAMICS; CYCLIC DIMERS; DENSITY FUNCTIONAL THEORY SIMULATIONS; DEUTERATED ANALOGUE; EXPERIMENTAL DATA; GASPHASE; GEOMETRY OPTIMIZATION; HYDROGEN BONDING PROPERTIES; INFRARED SPECTRUM; MINIMUM STRUCTURES; VIBRATIONAL ANALYSIS;

EID: 67651249838     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.07.010     Document Type: Article
Times cited : (33)

References (47)
  • 2
    • 0003923825 scopus 로고
    • Müller A., Ratajczak H., Junge W., and Diemann E. (Eds), Elsevier, Amsterdam
    • In: Müller A., Ratajczak H., Junge W., and Diemann E. (Eds). Electron and Proton Transfer in Chemistry and Biology (1992), Elsevier, Amsterdam
    • (1992) Electron and Proton Transfer in Chemistry and Biology
  • 29
    • 67651241936 scopus 로고    scopus 로고
    • H. Forbert, A. Kohlmeyer, Fourier-Version 2002-2005.
    • H. Forbert, A. Kohlmeyer, Fourier-Version 2002-2005.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.