Search Results - "Tholander, S"

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    Simple formulas for improved point-charge electrostatics in classical force fields and hybrid quantum mechanical/molecular mechanical embedding by Cisneros, G. A., Tholander, S. Na-Im, Parisel, O., Darden, T. A., Elking, D., Perera, L., Piquemal, J.-P.

    “…We present a simple damping scheme for point‐charge electrostatics that could be used directly in classical force fields. The approach acts at the charge (or…”
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