Species with negative electron affinity and standard DFT methods. Finding the valence anions-Reference-Cited by-同舟云学术

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Species with negative electron affinity and standard DFT methods. Finding the valence anions

Published:2008 Issue:10 Volume:10 Page:1394
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Puiatti Marcelo,Vera D. Mariano A.,Pierini Adriana B.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2008/CP/B716625G

Reference82 articles.

1. Species with negative electron affinity and standard DFT methodsElectronic supplementary information (ESI) available: (i) Details of calculations (total energies, zero point corrections, etc.) and correlations obtained with different basis sets. (ii) Color graphics: structure, dipole, SOMO diagram and spin densities. (iii) xyz coordinates of all species. See http://www.rsc.org/suppdata/cp/b4/b403898c/

2. Nucleophilic Substitution Reactions by Electron Transfer

3. Electrophilicity Index

4. Electron Affinities of Polycyclic Aromatic Hydrocarbons

5. Polarization consistent basis sets. III. The importance of diffuse functions

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