V. Kuznetsov, A. E. Kuramshina, S. A. Bochkor
Oct 1, 2009
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Journal
Journal of Structural Chemistry
Abstract
A study of the potential energy surface of 4-phenyl-1,3-dioxane by non-empirical quantum chemical RHF/STO-3G and 6-31G(d) approximations reveals six energetically inequivalent pathways of conformational isomerization of equatorial and axial chair forms.