Local softness, softness dipole, and polarizabilities of functional groups: Application to the side chains of the 20 amino acids

Journal of Chemical Physics

Volumn 131, Issue 4, 2009, Pages

  Krishtal, Alisa ^a   Senet, Patrick ^b   Van Alsenoy, Christian ^a  

^a UNIVERSITY OF ANTWERP   (Belgium)

^b UNIVERSITÉ DE BOURGOGNE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AROMATIC AMINO ACID; CLASSIFICATION ,; FIRST-PRINCIPLES; LOCAL SOFTNESS; MOLECULAR POLARIZABILITIES; NUMBER OF ELECTRONS; POLARIZABILITIES; SIDE CHAINS;

AMINATION; AMINES; ELECTRONIC PROPERTIES; FUNCTIONAL GROUPS; MOLECULAR ELECTRONICS; ORGANIC ACIDS; SULFUR;

AMINO ACIDS;

AMINO ACID;

ARTICLE; CHEMISTRY; CLASSIFICATION; COMPUTER SIMULATION;

AMINO ACIDS; COMPUTER SIMULATION;

EID: 68249128114     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3185349     Document Type: Article

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