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An ab initio SCF study of the rotational isomerism in ethyl formate and propargyl formate |
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| Authors: | D.G. Lister N.L. Owen P. Palmieri |
| Affiliation: | School of Physical and Molecular Sciences, University College of North Wales, BangorGreat Britain;Istituto Chimico “G. Ciamician”, Via Selmi 2, 40126 BolognaItaly |
| Abstract: | SCF computations using STO/3G orbitals have been made for methyl formate, ethyl formate and propargyl formate in order to investigate rotational isomerism in the last two molecules. The results are in good agreement with those of IR and microwave studies. |
| Keywords: | Present address: Department of Chemistry University of Dar es Salaam P.O. Box 35061 Dar es Salaam Tanzania |
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