The dihydrogen-bonded complex XeH2–H2O
- 1 January 1999
- journal article
- Published by Royal Society of Chemistry (RSC) in Physical Chemistry Chemical Physics
- Vol. 1 (7) , 1691-1697
- https://doi.org/10.1039/a900833k
Abstract
The monohydrate of xenon dihydride has been studied (XeH2) using ab initio molecular orbital theory. The XeH2–H2O complex was found to involve an unconventional dihydrogen bond. The computational BSSE-corrected interaction energies at the MP2/6-311+ + G(2d,2p) and CCSD(T)/6- 311+ + G(2d,2p)//MP2/6-311+ + G(2d,2p) lKeywords
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