Theoretical study of α/β-alanine and their protonated/alkali metal cationized complexes

Journal of Physical Chemistry A

Volumn 109, Issue 3, 2005, Pages 500-506

  Abirami, S ^a,b   Xing, Y M ^c   Tsang, C W ^c   Ma, N L ^a  

^a INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

^b NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

^c HONG KONG POLYTECHNIC UNIVERSITY   (Hong Kong)

Author keywords

[No Author keywords available]

Indexed keywords

BIOLOGICAL SYSTEMS; ELECTRON CORRELATION METHODS; GEOMETRY OPTIMIZATION; PROTONATION;

AMINO ACIDS; BINDING ENERGY; CONFORMATIONS; HYDROGEN BONDS; MOLECULAR DYNAMICS; POSITIVE IONS; PROBABILITY DENSITY FUNCTION;

COMPLEXATION;

ALKALI METAL; BETA ALANINE; CATION; LIGAND;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY;

BETA-ALANINE; CATIONS; LIGANDS; METALS, ALKALI; MODELS, MOLECULAR; MOLECULAR STRUCTURE;

EID: 13444278884     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp047399o     Document Type: Article

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