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/
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2004/CP/B403898C
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