Ab initio study of the energetics of protonation, deprotonation and homocomplexed cations and anions formation in systems modeling side chains of biomolecules

Journal of Molecular Structure: THEOCHEM

Volumn 674, Issue 1-3, 2004, Pages 61-67

  Makowski, Mariusz ^a   Makowska, Joanna ^a   Chmurzyński, Lech ^a  

^a UNIVERSITY OF GDA SK   (Poland)

Author keywords

Ab initio methods; Acid base interactions; N H N and O H O hydrogen bonds

Indexed keywords

ANION; CATION; GUANIDINE DERIVATIVE; NITROGEN; OXYGEN; PHENOL DERIVATIVE; POLYPEPTIDE; PROTEIN; PROTON; TYROSINE;

AB INITIO CALCULATION; ACID BASE BALANCE; ACIDITY; ARTICLE; CHEMICAL MODIFICATION; COMPLEX FORMATION; DEPROTONATION; ENERGY; HYDROGEN BOND; MOLECULE; POLARIZATION; PROTON TRANSPORT;

EID: 1942468585     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.01.001     Document Type: Article

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