Ground State of the (H2O)2+ Radical Cation: DFT versus Post-Hartree−Fock Methods-Reference-Cited by-同舟云学术

Ground State of the (H2O)2+ Radical Cation: DFT versus Post-Hartree−Fock Methods

Published:1998-12-11 Issue:1 Volume:103 Page:166-170
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Sodupe Mariona¹,Bertran Juan¹,Rodríguez-Santiago Luis¹,Baerends E. J.¹

Affiliation:

1. Departament de Química, Universitat Autònoma de Barcelona, Bellaterra, 08193 Spain, and Scheikundig Laboratorium der Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp983195u

Reference29 articles.

1. Chemical reactions in clusters

2. Ion-molecule reactions within molecular clusters

3. Interactions between Ions and Molecules: Gas-Phase Theoretical Studies

4. Odd-electron .sigma. bonds

5. What Is Physically Wrong with the Description of Odd-Electron Bonding by Hartree-Fock Theory? A Simple Nonempirical Remedy

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