Quantum Chemical Study of the Hydrogen-bonded C4H2HCl Complexes†
- 1 January 1997
- journal article
- Published by Royal Society of Chemistry (RSC) in Journal of Chemical Research
- No. 6,p. 216-217
- https://doi.org/10.1039/a608549k
Abstract
Ab initio molecular orbital calculations at the MP2 full level and density functional calculations using 6-31 C 4 H 2 HCl system and it is observed that formation of a weak complex is possible with a πHCl type hydrogen bond between the C 4 H 2 and HCl molecules.Keywords
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