PSEUDOPOTENTIAL CALCULATIONS BY THE NOCOR METHOD APPLIED TO TRANSITION METAL CARBONYLS
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Date
1975
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Publisher
Ohio State University
Abstract
Pseudopotential SCF calculations have been performed to determine the structure and vibrational spectra of Ni(CO)$_{4}$. These findings are compared with analogous full SCF results and with experiment. The method is equally applicable to complexes of the elements of the second and third transition series; examples of calculations on such compounds are presented and discussed.
Description
Author Institution: Department of Chemistry, Vanderbilt University