R. M. Minyaev, V. I. Minkin, T. N. Gribanova, “A quantum-chemical study of carbon sandwich compounds”, Mendeleev Commun., 2004, Volume 14, Issue 3,Pages <nobr>96

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A quantum-chemical study of carbon sandwich compounds

R. M. Minyaev, V. I. Minkin, T. N. Gribanova

Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russian Federation

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.

Language: English

DOI: 10.1070/MC2004v014n03ABEH001917