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 Journal › Article › Academic › peer-review

Abstract

Relativistic time dependent density functional calculations have been performed on the excited states of the M(CO)

Original language	English
Pages (from-to)	10356-10365
Journal	Journal of the American Chemical Society
Volume	121
DOIs	https://doi.org/10.1021/ja990747t
Publication status	Published - 1999

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

abstract = "Relativistic time dependent density functional calculations have been performed on the excited states of the M(CO)",

author = "A. Rosa and E.J. Baerends and {van Gisbergen}, S.J.A. and {van Lenthe}, E. and J.A. Groeneveld and J.G. Snijders",

year = "1999",

doi = "10.1021/ja990747t",

language = "English",

volume = "121",

pages = "10356--10365",

journal = "Journal of the American Chemical Society",

issn = "0002-7863",

publisher = "American Chemical Society",

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T1 - Electronic Spectra of (MCO)6 (M = Cr,Mo,W) Revisited by a Relativistic TDDFT Approach.

AU - Rosa, A.

AU - Baerends, E.J.

AU - van Gisbergen, S.J.A.

AU - van Lenthe, E.

AU - Groeneveld, J.A.

AU - Snijders, J.G.

PY - 1999

Y1 - 1999

N2 - Relativistic time dependent density functional calculations have been performed on the excited states of the M(CO)

AB - Relativistic time dependent density functional calculations have been performed on the excited states of the M(CO)

U2 - 10.1021/ja990747t

DO - 10.1021/ja990747t

M3 - Article

VL - 121

SP - 10356

EP - 10365

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

SN - 0002-7863

ER -