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H-bonds correction interface
Empirical correction for hydrogen bonds in the PM6 semiempirical method[1].
It was found that the parameterization of the correction does not work well for large systems. Please be careful when using it or wait for a next version of the correction which is being developed.
Keywords
References
[1] Rezac J., Fanfrlik J., Salahub D., Hobza P.: Semiempirical Quantum Chemical PM6 Method Augmented by Dispersion and H-Bonding Correction Terms Reliably Describes Various Types of Noncovalent Complexes, JCTC 5(7), 1749-1760, 2009