A MRCC study of the isomerisation of cyclopropane

Lang, J; Svana, M; Demel, O; Brabec, J; Kedzuch, S; Noga, J; Kowalski, K; Pittner, J

Pittner, J (reprint author), Acad Sci Czech Republ, J Heyrovsky Inst Phys Chem, Prague 8, Czech Republic.

MOLECULAR PHYSICS, 2017; 115 (21-22): 2743

Abstract

Mukherjee's and Brillouin-Wigner multi-reference coupled clustermethods with universal state selective (USS) corrections were used to study the isomer......

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