Article ID Journal Published Year Pages File Type
5382361 Chemical Physics Letters 2012 5 Pages PDF
Abstract
► The FMO method is used to examine the interaction strength of π-π interactions. ► The FMO approach accurately reproduces the calculated complex energies. ► Monomer polarization is explicitly calculated when using the FMO method. ► A source of possible discrepancies between FMO and supermolecular approaches is identified.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
The fragment molecular orbital method and understanding monomer polarization
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