Strong orbital interaction in a weak CH-π hydrogen bonding system
Abstract
For the first time, the intermolecular orbital interaction between benzene and methane in the benzene-methane complex, a representative of weak interaction system, has been studied by us using ab initio calculations based on different methods and basis sets. Our results demonstrate obvious intermolecular orbital interaction between benzene and methane involving orbital overlaps including both occupied and unoccupied orbitals. Similar to...
Paper Details
Title
Strong orbital interaction in a weak CH-π hydrogen bonding system
Published Date
Mar 1, 2016
Journal
Volume
6
Issue
1
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