Molecular modeling in dioxane methanol interaction.

Abstract

Molecular interaction between dioxane and methanol involves certain polar and nonpolar bonding to form a one to one complex. Interatomic distances between hydrogen and oxygen within 3 Å have been considered as hydrogen bonding. Optimizations of the structures of dioxane-methanol complexes were carried out considering any spatial orientation of a methanol… (More)
DOI: 10.1007/s00894-014-2408-0

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