Article ID Journal Published Year Pages File Type
5389462 Chemical Physics Letters 2007 5 Pages PDF
Abstract
The B3LYP/6-311++G(d,p) calculations and the AIM topological parameters were applied to quantify the binding energies of the C2H2-2HF and C2H4O-2HF trimolecular hydrogen bonded complexes.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
An energetic quantification of inter-intramolecular interactions in the C2H2-2HF and C2H4O-2HF trimolecular hydrogen bonded complexes: DFT calculations and AIM topological parameters
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