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Accurate dynamical structure factors from ab initio lattice dynamics: The case of crystalline silicon

✍ Scribed by Erba, Alessandro; Ferrabone, Matteo; Orlando, Roberto; Dovesi, Roberto

Book ID: 118762580
Publisher: John Wiley and Sons
Year: 2012
Tongue: English
Weight: 399 KB
Volume: 34
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.23138

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## Abstract __A silicon compound has recently been synthesized that was claimed to exhibit the first realization of a silicon–silicon triple bond. We debate this classification on the basis of a thorough investigation of the nature of the chemical bond, using the rigorous topological analysis of th