PA/pKa equalization and the prediction of the hydrogen-bond strength: A synergism of classical thermodynamics and structural crystallography

Journal of Molecular Structure

Volumn 844-845, Issue , 2007, Pages 328-339

  Gilli, Paola ^a   Pretto, Loretta ^a   Gilli, Gastone ^a  

^a UNIVERSITY OF FERRARA   (Italy)

Author keywords

Acid base theory; Crystallographic databases; Hydrogen bonding; PA pKa equalization; Thermodynamic databases

Indexed keywords

BOND STRENGTH (CHEMICAL); CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; INDICATORS (CHEMICAL); SOLUTIONS; THERMODYNAMICS;

ACID BASE INDICATORS; CRYSTALLOGRAPHIC DATABASES; STRUCTURAL CRYSTALLOGRAPHY; THERMODYNAMIC DATABASES;

HYDROGEN BONDS;

EID: 35348923600     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2007.05.014     Document Type: Article

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