Investigation of the Electronic Structure and Optical Spectra of Uranium (IV), (V), and (VI) Complexes Using Multiconfigurational Methods-Reference-Cited by-同舟云学术

Investigation of the Electronic Structure and Optical Spectra of Uranium (IV), (V), and (VI) Complexes Using Multiconfigurational Methods

Published:2022-09-06 Issue:36 Volume:126 Page:6059-6066
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Godsall Michael¹^ORCID,Chilton Nicholas F.¹^ORCID

Affiliation:

1. Department of Chemistry, The University of Manchester, Manchester M13 9PL, U.K.

Funder

Royal Society

University of Manchester

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.2c03314

Reference47 articles.

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2. Combining luminescence spectroscopy, parallel factor analysis and quantum chemistry to reveal metal speciation – a case study of uranyl(vi) hydrolysis

3. Excitation Energies from Time-Dependent Density-Functional Theory

4. A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

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3. Investigation of the Electronic Structure and Optical Spectra of Uranium (IV), (V), and (VI) Complexes Using Multiconfigurational Methods;The Journal of Physical Chemistry A;2022-09-06