INDO Molecular Orbital Calculations of the Dipole Moment and Conformation of Methyl Formate and Methyl Fluoroformate
Berichte der Bunsengesellschaft für physikalische Chemie1973Vol. 77(6), pp. 425–427
Abstract
Abstract The electric dipole moment and the total molecular energy of methyl formate and methyl fluoroformate for different molecular conformations was calculated using the INDO molecular orbital approximation. It was found that the calculated dipole moments were in fair agreement with the experimentally measured dipole moments. It was also found that the most stable molecular conformations predicted by INDO calculations were in agreement with the experimentally determined conformations.
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