Semiempirical molecular orbital study of glycine solvation and of binding calcium carbonate on glycine polypeptides

Journal of Computational Methods in Sciences and Engineering

Volumn 7, Issue 1, 2007, Pages 75-84

  Chrissanthopoulos, A ^a   Dalas, E ^a  

^a UNIVERSITY OF PATRAS   (Greece)

Author keywords

calcium carbonate; COSMO; crystallization; glycine; MOPAC PM5; Semiempirical calculations; solvation

Indexed keywords

AMINO ACIDS; CALCIUM CARBONATE; CARBONATION; CRYSTALLIZATION; MOLECULAR ORBITALS; SOLVATION;

COSMO; MOLECULAR ORBITAL STUDIES; MOPAC/PM5; NUCLEATION PROCESS; SEMI-EMPIRICAL CALCULATION; SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS; SOLVATION EFFECT; STRUCTURE STABILIZATION;

ORBITAL CALCULATIONS;

EID: 84880939830     PISSN: 14727978     EISSN: None     Source Type: Journal    
DOI: 10.3233/jcm-2007-7105     Document Type: Article

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