Dissociating energies, vibrational frequencies and 13C NMR chemical shifts of the 18 electron species [M(CO)6]n (M=Hf-Ir, Mo, Tc, Ru, Cr, Mn, Fe). A density functional study.

A.W. Ehlers, Y. Ruiz-Morales, E.J. Baerends, T. Ziegler

Research output: Contribution to JournalArticleAcademicpeer-review

Original languageEnglish
Pages (from-to)5031
JournalInorganic Chemistry
Volume36
DOIs
Publication statusPublished - 1997

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