Effect of fluorine substitution on the proton transfer barrier in malonaldehyde. A density functional theory study

Chemical Physics Letters

Volumn 376, Issue 5-6, 2003, Pages 781-787

  Pichierri, Fabio ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

FLUORINE; MALONALDEHYDE; PROTON;

ARTICLE; CALCULATION; CORRELATION ANALYSIS; DENSITY; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; HYDROGEN BOND; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; STRUCTURE ACTIVITY RELATION; SUBSTITUTION REACTION; THEORETICAL STUDY; THEORY;

EID: 0141450332     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(03)01117-5     Document Type: Article

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