Comparative Theoretical Investigation of the Vertical Excitation Energies and the Electronic Structure of [MoVOCl4]-: Influence of Basis Set and Geometry-Reference-Cited by-同舟云学术

Comparative Theoretical Investigation of the Vertical Excitation Energies and the Electronic Structure of [MoVOCl4]-: Influence of Basis Set and Geometry

Published:2003-06-01 Issue:13 Volume:42 Page:4046-4056
ISSN:0020-1669
Container-title:Inorganic Chemistry
language:en
Short-container-title:Inorg. Chem.

Author:

Nemykin Victor N.¹,Basu Partha¹

Affiliation:

1. Department of Chemistry and Biochemistry, Duquesne University, 600 Forbes Avenue, Pittsburgh, Pennsylvania 15282

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ic0262942

Reference59 articles.

1. Electronic Structures of MoF6 and MoOF4 in the Ground and Excited States: A SAC-CI and Frozen-Orbital-Analysis Study

2. Influence of d-p π-conjugate interaction upon electronic spectra in some cluster compounds

3. Reactive Scattering from Brute Force Oriented Asymmetric Top Molecules: K + C6H5I → KI + C6H5

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