| Literature DB >> 21633735 |
Sean A C McDowell1, A David Buckingham.
Abstract
A computational study of the cooperative effect of hydrogen bonding in linear trimers comprised of HCN and HBO molecules was undertaken at the MP2/6-311++G(2d,2p) level of theory. It was found that the third molecule leads to enhancement of the binding relative to that of the dimer species comprising these monomers. HBO is a better proton acceptor and a weaker proton donor than HCN.Entities:
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Year: 2011 PMID： 21633735 DOI： 10.1039/c1cp20660e
Source DB: PubMed Journal: Phys Chem Chem Phys ISSN： 1463-9076 Impact factor: 3.676