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Refinement of Atomic Polarizabilities for a Polarizable Gaussian Multipole Force Field with Simultaneous Considerations of Both Molecular Polarizability Tensors and In-Solution Electrostatic Potentials
Yong Duan
,
Junmei Wang
,
Piotr Cieplak
,
Ray Luo
January 2025
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DOI
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Journal article
Publication
Journal of Chemical Information and Modeling
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