Article ID Journal Published Year Pages File Type
5395013 Computational and Theoretical Chemistry 2011 8 Pages PDF
Abstract
► The dihydrogen-bonded complex includes the electron-deficient BB π-system. ► The substituent effect on the dihydrogen-bonded interaction is investigated. ► The loss of H2 occurs from neutral dihydrogen-bonded complex by substituent effect.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
A MP2(full) and CCSD(T) theoretical investigation on the dihydrogen-bonded interactions between HNa and RBBH (R = F, Cl, H, CN, NC and CO)
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