Using the ultimate in the PMn series, we examined five test sets for their weak intermolecular interactions. PM7 includes an empirical dispersion add-on as well as a hydrogen bonding expression to capture non covalent interactions. We test it's viability on Rare Gas dimers, Ar with non-polar groups, hydrocarbon dimers, hydrogen bonding dimers as well as cis-trans isomerism and compare with its predecessor to evince its success and failures.

Assesing weak interactions in small dimer systems with PM7

248th National Meeting (2014)

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