Article ID Journal Published Year Pages File Type
5395096 Computational and Theoretical Chemistry 2011 10 Pages PDF
Abstract
► Different cooperative effects in linear and cyclic BA clusters. ► A conspicuous contraction in HB length of cyclic (BA)6 relative to the dimer. ► Considerable electron localization in inner H···O bond critical points of cyclic (BA)6.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Characterization of O-H⋯O interactions in linear and cyclic clusters of boric acid: An ab initio, DFT, QTAIM and NBO study
Authors
, ,