Article ID Journal Published Year Pages File Type
5391512 Chemical Physics Letters 2008 7 Pages PDF
Abstract
Semi-empirical correction to DFT for dispersion has been used to study the impact of weak interactions on structures, energies and molecular dynamics of the benzene dimer.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Implementation and validation of DFT-D for molecular vibrations and dynamics: The benzene dimer as a case study
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