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ChemPhysChem

Volumn 6, Issue 3, 2005, Pages 487-495

Focal-point conformational analysis of ethanol, propanol, and isopropanol

(2) Kahn, Kalju a Bruice, Thomas C a

a UNIVERSITY OF CALIFORNIA (United States)

Author keywords

Ab initio calculations; Alcohols; Conformation analysis; Electron correlation; Quantum chemistry

Indexed keywords

ALCOHOLS; CALCULATIONS; CHEMICAL ANALYSIS; CORRELATION DETECTORS; ELECTRON CORRELATIONS; ELECTRONS; ETHANOL; PROPANOL; QUANTUM CHEMISTRY;

AB INITIO CALCULATIONS; CONFORMATION ANALYSIS; CONFORMATIONAL ANALYSIS; CONFORMATIONAL ENERGIES; ELECTRON CORRELATION EFFECT; ENERGY CONTRIBUTION; METHYL GROUP ROTATION; PARTIAL CANCELLATION;

CONFORMATIONS;

2 PROPANOL; ALCOHOL; CARBON; HYDROGEN; METHYL GROUP; PROPANOL;

ARTICLE; CONFORMATION; ELECTRON; ENERGY; ROTATION;

EID: 16444382655 PISSN: 14394235 EISSN: None Source Type: Journal
DOI: 10.1002/cphc.200400412 Document Type: Article

Times cited : (66)

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