Determination of aqueous acid-dissociation constants of aspartic acid using PCM/DFT method

International Journal of Quantum Chemistry

Volumn 108, Issue 6, 2008, Pages 1181-1188

  Sang Aroon, Wichien ^a   Ruangpornvisuti, Vithaya ^a  

^a CHULALONGKORN UNIVERSITY   (Thailand)

Author keywords

Acid dissociation constant; Aspartic acid; CPCM; DFT; IEFPCM; Solvent effect; Zwitterionic species

Indexed keywords

DENSITY FUNCTIONAL THEORY; DISSOCIATION; INTEGRAL EQUATIONS; MATHEMATICAL MODELS; POLARIZATION; SOLVENTS;

ACID DISSOCIATION CONSTANT; ASPARTIC ACID; SOLVENT EFFECTS; ZWITTERIONIC SPECIES;

AMINO ACIDS;

EID: 40749095588     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21569     Document Type: Article

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