Chiral discrimination in hydrogen-bonded complexes of 2-methylol oxirane with hydrogen peroxide

International Journal of Quantum Chemistry

Volumn 109, Issue 5, 2009, Pages 920-930

  Zhang, Guiqiu ^a   Aixia, Yin ^a   Chen, Dezhan ^a  

^a SHANDONG NORMAL UNIVERSITY   (China)

Author keywords

2 methylol oxirane; Chiral discrimination; Hydrogen peroxide; Polarizable continuum model (PCM)

Indexed keywords

2-METHYLOL OXIRANE; AVERAGE BINDING ENERGIES; BASIS SETS; CHIRAL DISCRIMINATION; CHIRAL MOLECULES; DIASTEREOMERIC; DIASTEREOMERIC COMPLEXES; HARMONIC FREQUENCIES; HYDROGEN-BONDED COMPLEXES; INTER-MOLECULAR INTERACTIONS; INTERACTION ENERGIES; IR INTENSITIES; OPTIMIZED STRUCTURES; PLESSET PERTURBATION THEORIES; POLARIZABLE CONTINUUM MODEL (PCM); QUANTUM CHEMICAL STUDIES; RELATIVE POSITIONS; ROTATIONAL CONSTANTS; SECOND ORDERS;

BINDING ENERGY; BINDING SITES; COMPLEXATION; CONTINUUM MECHANICS; HYDROGEN; HYDROGEN PEROXIDE; ISOMERS; LAW ENFORCEMENT; OXIDATION; PERTURBATION TECHNIQUES; PULSE CODE MODULATION; QUANTUM CHEMISTRY; STEREOCHEMISTRY;

HYDROGEN BONDS;

EID: 63849205365     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21878     Document Type: Article

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