Hydrogen bonding in malonaldehyde: A density functional and reparametrized semiempirical approach

Chemical Physics

Volumn 293, Issue 1, 2003, Pages 41-52

  Kovačević, Goran ^a   Hrenar, Tomica ^b   Došlić, Nadja ^a  

^a RUDER BO KOVI INSTITUTE   (Croatia)

^b UNIVERSITY OF ZAGREB   (Croatia)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN; MALONALDEHYDE; OXYGEN;

ALGORITHM; ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; ENERGY; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PROTON TRANSPORT; THEORY; VIBRATION;

EID: 0042164419     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(03)00287-8     Document Type: Article

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