Glycine and alanine: A theoretical study of solvent effects upon energetics and molecular response properties

Journal of Molecular Structure: THEOCHEM

Volumn 500, Issue 1-3, 2000, Pages 113-127

  Gontrani, L ^a   Mennucci, B ^a   Tomasi, J ^a  

^a UNIVERSITY OF PISA   (Italy)

Author keywords

Nuclear magnetic resonance chemical shifts; Polarisable continuum model; Solvation; Vibrational circular dichroism; Vibrational frequencies

Indexed keywords

ALANINE; GLYCINE; SOLVENT;

AMINO ACID ANALYSIS; ARTICLE; CHEMICAL STRUCTURE; CIRCULAR DICHROISM; MOLECULAR INTERACTION; NUCLEAR MAGNETIC RESONANCE; SOLUBILITY; STRUCTURE ANALYSIS; THEORY; VIBRATION;

EID: 84961984960     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(00)00390-0     Document Type: Article

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