NR2 and P3+: Accurate, Efficient Electron-Propagator Methods for Calculating Valence, Vertical Ionization Energies of Closed-Shell Molecules-Reference-Cited by-同舟云学术

NR2 and P3+: Accurate, Efficient Electron-Propagator Methods for Calculating Valence, Vertical Ionization Energies of Closed-Shell Molecules

Published:2015-08-07 Issue:33 Volume:119 Page:8813-8821
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Corzo H. H.¹,Galano Annia²,Dolgounitcheva O.¹,Zakrzewski V. G.¹,Ortiz J. V.¹

Affiliation:

1. Department of Chemistry and Biochemistry, Auburn University, Auburn, Alabama 36849-5312, United States

2. Departamento de Química, Universidad Autónoma Metropolitana, Iztapalapa San Rafael Atlixco 186, Col. Vicentina, Iztapalapa, C.P. 09340, México, D.F., Mexico

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.5b00942

Reference66 articles.

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2. Conceptual Density Functional Theory

3. Electron transfer reactions in chemistry. Theory and experiment

4. Charge-Transfer and Energy-Transfer Processes in π-Conjugated Oligomers and Polymers: A Molecular Picture

5. Hardness and softness in density functional theory

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