The ortho- to meta- isomerization of dicarba-closo-dodecaborane

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Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.631, pp.75-78, 2003 (SCI-Expanded)

• Publication Type: Article / Article
• Volume: 631
• Publication Date: 2003
• Doi Number: 10.1016/s0166-1280(03)00204-5
• Journal Name: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
• Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Page Numbers: pp.75-78
• Middle East Technical University Affiliated: No

Abstract

By means of AMI(RHF) type semiempirical quantum chemical calculations, the conversion of ortho- dicarba-closododecaborane to its meta- isomer is throughly investigated by considering two intermediate structures previously proposed. (C) 2003 Elsevier B.V. All rights reserved.