Intramolecular hydrogen bonding in α-phenylcinnamic acids and their heteroatom-containing derivatives studied by ab initio quantum chemical methods

Journal of Molecular Structure: THEOCHEM

Volumn 535, Issue 1-3, 2001, Pages 139-149

  Kortvelyesi T ^a   Kukovecz, Á ^a   Lovas, S ^b   Palinko I ^a  

^a UNIVERSITY OF SZEGED   (Hungary)

^b CREIGHTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

Ab initio (HF 3 21G and HF 6 31G(d,p)) calculations; Geometric cut off criteria; Intramolecular hydrogen bonding; phenyl ; pyridyl and furylcinnamic acid stereoisomers

Indexed keywords

ALPHA PHENYLCINNAMIC ACID; CINNAMIC ACID DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CONFORMATION; GEOMETRY; HYDROGEN BOND; MOLECULAR INTERACTION; QUANTUM CHEMISTRY; STEREOISOMERISM; STRUCTURE ANALYSIS;

EID: 0035862891     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(00)00588-1     Document Type: Article

References (17)