Fourier type potential energy function for conformational change of selected organic functional groups

Chemical Physics Letters

Volumn 599, Issue , 2014, Pages 169-174

  Rágyanszki, Anita ^a   Surányi, Attila ^a   Csizmadia, Imre G ^a,b   Kelemen, András ^a   Knak Jensen, Svend J ^c   Uysal, Selma Yarligan ^d   Viskolcz, Béla ^a  

^a UNIVERSITY OF SZEGED   (Hungary)

^b UNIVERSITY OF TORONTO   (Canada)

^c AARHUS UNIVERSITY   (Denmark)

^d ESKISEHIR OSMANGAZI UNIVERSITY   (Turkey)

Author keywords

[No Author keywords available]

Indexed keywords

FUNCTIONAL GROUPS; POTENTIAL ENERGY FUNCTIONS;

CHEMICAL ENVIRONMENT; CONFORMATIONAL CHANGE; ELECTRON STRUCTURES; ENERGY CHANGES; FORCE-FIELD CALCULATION; FOURIER EXPANSION; INTERNAL ROTATIONS; ORGANIC FUNCTIONAL GROUPS;

FOURIER SERIES;

EID: 84898446263     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2014.03.029     Document Type: Article

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