Theoretical Investigation of Uranyl Dihydroxide: Oxo Ligand Exchange, Water Catalysis, and Vibrational Spectra-Reference-Cited by-同舟云学术

Theoretical Investigation of Uranyl Dihydroxide: Oxo Ligand Exchange, Water Catalysis, and Vibrational Spectra

Published:2005-08-31 Issue:38 Volume:109 Page:8579-8586
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Hratchian Hrant P.¹,Sonnenberg Jason L.¹,Hay P. Jeffrey¹,Martin Richard L.¹,Bursten Bruce E.¹,Schlegel H. Bernhard¹

Affiliation:

1. Department of Chemistry and Institute of Scientific Computing, Wayne State University, Detroit, Michigan 48202, Department of Chemistry, The Ohio State University, Columbus, Ohio 43210, and Theoretical Division, Los Alamos National Laboratory, Mail Stop B268, Los Alamos, New Mexico 87545

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp052616m

Reference65 articles.

1. Electronic structure and bonding in actinyl ions

2. The electronic structure of actinide-containing molecules: a challenge to applied quantum chemistry

3. Density functional calculations on actinide compounds: Survey of recent progress and application to [UO2X4]2? (X=F, Cl, OH) and AnF6 (An=U, Np, Pu)

4. Combined helium I/helium II photoelectron spectroscopic and Hartree-Fock-Slater investigation of electronic structure and bonding in uranium hexamethoxide

5. Thermodynamic Study of UO3(g), UO2(OH)2(g), UO2Cl2(g), and UO2F2(g)

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