Ab initio study of the hydroxyl rotational potentials in ethanol, gauche-1-propanol and gauche,gauche-2-methyl-1-propanol
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference17 articles.
1. Estimates for systematic empirical corrections of consistent 4–21G ab initio geometries and their correlations to total energy group increments
2. Ab initio calculations on ethanol and 2-substituted fluorine and chlorine containing mono-, di- and tri-haloethanols, with reference to conformer interconversions at low temperatures
3. Ab InitioSelf-consistent Field MO Calculations of Ethanethiol and Ethanol
4. The influence of the basis set on the evaluation of conformational energies for small organic solutes in aqueous solutions
5. The conformations of some simple alcohols and thiols
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