Local potential energy: A novel QTAIM tool to quantify the binding energy of classical hydrogen bonds
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DOI: 10.1016/j.cplett.2020.137593
Abstract: Abstract We developed the local potential energy, LPE, model based on the electrostatic force (the unique fundamental force for chemical bonds) whose equation uses QTAIM topological data. The effectiveness of the LPE was evaluated with… read more here.
Keywords: potential energy; local potential; hydrogen; energy ... See more keywords