Vibrations of methane in structure I clathrate hydrate - An ab initio density functional molecular dynamics study

Journal of Supramolecular Chemistry

Volumn 2, Issue 4-5, 2002, Pages 429-433

  Tse, John S ^a  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

Clathrate hydrate; Gas hydrate; Methane; Molecular dynamics

Indexed keywords

METHANE;

AB INITIO CALCULATION; ANALYTIC METHOD; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CONTROLLED STUDY; DENSITY; ELECTRIC POTENTIAL; FOURIER TRANSFORMATION; MOLECULAR DYNAMICS; STRUCTURE ANALYSIS; VIBRATION;

EID: 0042442272     PISSN: 14727862     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1472-7862(03)00053-4     Document Type: Article

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