Density Functional Study of Geometry and Vibrational Spectra for the Isoelectronic and Cr(CO)6 Molecules
Author:
Affiliation:
1. Department of Chemistry, Northwestern University, Evanston, Illinois 60208-3113
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp963964e
Reference58 articles.
1. Theoretical study of the vibrational spectra of the transition metal carbonyls M(CO)6 [M=Cr, Mo, W], M(CO)5 [M=Fe, Ru, Os], and M(CO)4 [M=Ni, Pd, Pt]
2. Binding energies, molecular structures, and vibrational frequencies of transition metal carbonyls using density functional theory with gradient corrections
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