Myers–Saito and Schmittel cyclization of hepta-1,2,4-triene-6-yne: A theoretical REKS study
Abstract
Spin-restricted
ensemble-referenced Kohn–Sham (REKS) calculations have been performed on the cyclization process
of
* Corresponding authors
a The Institute of Chemistry and the Lise Meitner-Minera Center for Computational Quantum Chemistry, The Hebrew Uniersity, Jerusalem, Israel
b Department of Theoretical Chemistry, Göteborg Uniersity, Reutersgatan 2, Göteborg, Sweden
Spin-restricted
ensemble-referenced Kohn–Sham (REKS) calculations have been performed on the cyclization process
of
S. P. de Visser, M. Filatov and S. Shaik, Phys. Chem. Chem. Phys., 2001, 3, 1242 DOI: 10.1039/B009965L
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