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Phosphorus and Sulfur and the Related Elements Volume 28, 1986 - Issue 1-2
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Original Articles

PSEUDOPOTENTIAL CALCULATIONS ON Si6H6

Alexander F. Sax Institut für Theoretische Chemie, Karl-Franzens Universität Graz, Austria
&
Rudolf Janoschek Institut für Theoretische Chemie, Karl-Franzens Universität Graz, Austria
Pages 151-166 | Published online: 13 Dec 2006
 
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Abstract

The method of local pseudopotentials is applied to the calculation of the ground state structures of some isomers of Si6H6. The cyclic hexasilabenzene (D6h symmetry) is found to be the energetically lowest structure. The question of resonance stabilization is discussed.

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