Non-Orthogonal Configuration Interaction with Single Substitutions for Core-Excited States: An Extension to Doublet Radicals-Reference-Cited by-同舟云学术

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Non-Orthogonal Configuration Interaction with Single Substitutions for Core-Excited States: An Extension to Doublet Radicals

Published:2019-04-24 Issue:5 Volume:15 Page:2966-2973
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Oosterbaan Katherine J.¹²^ORCID,White Alec F.³,Head-Gordon Martin¹²^ORCID

Affiliation:

1. Department of Chemistry, University of California, Berkeley, California 94720, United States

2. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

3. Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States

Funder

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b01259

Reference81 articles.

1. Free Radicals: Properties, Sources, Targets, and Their Implication in Various Diseases

2. Multiple roles of cysteine in biocatalysis

3. Aromatic and Polycyclic Aromatic Hydrocarbon Formation in a Premixed Propane Flame

4. The chemistry of interstellar space

5. Model of Titans ionosphere with detailed hydrocarbon ion chemistry

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5. The verification of delta SCF and Slater's transition state theory for the calculation of core ionization energy;Journal of Computational Chemistry;2023-09-14

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