Electronic Spectra of (MCO)6 (M = Cr,Mo,W) Revisited by a Relativistic TDDFT Approach.

A. Rosa, E.J. Baerends, S.J.A. van Gisbergen, E. van Lenthe, J.A. Groeneveld, J.G. Snijders

Research output: Contribution to JournalArticleAcademicpeer-review

Abstract

Relativistic time dependent density functional calculations have been performed on the excited states of the M(CO)
Original languageEnglish
Pages (from-to)10356-10365
JournalJournal of the American Chemical Society
Volume121
DOIs
Publication statusPublished - 1999

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