Ab-initio and density functional study of l- and d-forms of alanine and serine in gas phase and bulk aqueous medium

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 66, Issue 4-5, 2007, Pages 909-918

  Upadhyay, D M ^a   Rai, Amareshwar Kumar ^a   Rai, D K ^a   Singh, A N ^a   Kumar, Anup ^b  

^a BANARAS HINDU UNIVERSITY   (India)

^b GNIT Group of Institutions   (India)

Author keywords

Ab initio; Density functional theory; l and d forms of alanine and serine; Moller Plesset second order

Indexed keywords

GEOMETRY; MOLECULAR STRUCTURE; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

AB-INITIO; ALANINE; DENSITY FUNCTIONAL STUDY; MOLLER-PLESSET SECOND ORDER; SERINE;

AMINO ACIDS;

EID: 84962440842     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2006.04.030     Document Type: Article

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