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

✍ Scribed by Puiatti, Marcelo; Vera, D. Mariano A.; Pierini, Adriana B.

Book ID: 111653414
Publisher: Royal Society of Chemistry
Year: 2008
Tongue: English
Weight: 880 KB
Volume: 10
Category: Article
ISSN: 1463-9076
DOI: 10.1039/b716625g

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Species with negative electron affinity

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/

✍ Vera, D. Mariano A.; Pierini, Adriana B. 📂 Article 📅 2004 🏛 Royal Society of Chemistry 🌐 English ⚖ 590 KB