Proton motion in malonaldehyde: An ab initio molecular dynamics study

Journal of Molecular Structure

Volumn 448, Issue 2-3, 1998, Pages 201-207

  Wolf, K ^a   Mikenda, W ^a   Nusterer, E ^b   Schwarz, K ^b  

^a UNIVERSITY OF VIENNA   (Austria)

^b VIENNA UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

Malonaldehyde; Molecular dynamics; Proton motion

Indexed keywords

MALONALDEHYDE;

CHEMICAL STRUCTURE; CONFERENCE PAPER; ELECTRIC POTENTIAL; ENERGY TRANSFER; GEOMETRY; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR MODEL; PROTON TRANSPORT; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; TEMPERATURE DEPENDENCE;

EID: 0032427848     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-2860(98)00351-2     Document Type: Conference Paper

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