Article ID Journal Published Year Pages File Type
5419240 Journal of Molecular Structure: THEOCHEM 2007 8 Pages PDF
Abstract
As a follow-up to our paper on a carbon-boron-nitrogen three-membered ring, we present here the predicted structures, vibrational frequencies, and thermochemical properties of all possible mixed boron- and nitrogen-containing rings. Of the seven possible compounds, we were able to characterize minimum-energy structures for four of them. G2, G3, CBS, and DFT methods were employed.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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