AN AB INITIO MOLECULAR ORBITAL STUDY OF THE $S_{N}2$ ATTACK OF HYDRIDE UPON HYDROGEN FLUORIDE
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Date
1974
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Ohio State University
Abstract
The reaction of hydride with hydrogen fluoride has been investigated by the use of ab initio LCAO - MO - SCF Gaussian basis wavefunctions. The sensitivity of the results to the inclusion of diffuse and polarization functions in the basis set was examined. The r\^{o}le of diffuse functions was found to be particularly important.
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Author Institution: Battelle Memorial Institute