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Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical

Tian Lu1, Qinxue Chen1

  • 1Beijing Kein Research Center for Natural Sciences, Beijing, China.

Journal of Computational Chemistry
|February 2, 2022
PubMed

Keywords:
HirshfeldMultiwfnelectron densityhydrogen bondindependent gradient modelinteraction region indicatornoncovalent interactionpi-pi stackingvan der Waals interactionweak interaction

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