✦ LIBER ✦

Optimum structures and vibrational frequencies of (SIC)2 clusters

✍ Scribed by G. B. Fitzgerald; Rodney J. Bartlett

Book ID: 104582843
Publisher: John Wiley and Sons
Year: 1990
Tongue: English
Weight: 420 KB
Volume: 38
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560380207

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✦ Synopsis

Abstract

(SiC)~2~ clusters occupy an intermediate place between the well‐studied clusters C~n~ and Si~n~. Of the five closed‐shell isomers investigated in this paper, the rhombic form is found to be the lowest in energy at the MBPT(4) level. Analytic SCF and MBPT(2) second derivatives are used to predict vibrational frequencies for the isomers.

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