Issue 3, 2004

A quantum-chemical study of carbon sandwich compounds

Abstract

Ab initio [MP2(fu)/6-311+G**] and DFT (B3LYP/6-311+G**) calculations predict highly symmetrical stable structures of sandwich compounds with a central carbon atom between three-, four- and five-membered (BH)n rings.

Article information

Article type
Communication
Submitted
17 Mar 2004

Mendeleev Commun., 2004,014, 96-98

A quantum-chemical study of carbon sandwich compounds

R. M. Minyaev, V. I. Minkin and T. N. Gribanova, Mendeleev Commun., 2004, 014, 96 DOI: 10.1070/MC2004v014n03ABEH001917

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