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Importance of explicit smeared lone-pairs in anisotropic polarizable molecular mechanics. Torture track angular tests for exchange-repulsion and charge transfer contributions.

Lea El-KhourySehr Naseem-KhanKarolina KwapienZeina HobaikaRichard G. MarounJean-Philip PiquemalNohad Gresh
Published in: J. Comput. Chem. (2017)
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