"Scalable improvement of SPME multipolar electrostatics in anisotropic ..."

Christophe Narth et al. (2016)

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DOI: 10.1002/JCC.24257

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type: Journal Article

metadata version: 2022-10-02

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Christophe Narth, Louis Lagardère, Étienne Polack, Nohad Gresh, Qiantao Wang, David R. Bell, Joshua A. Rackers, Jay W. Ponder, Pengyu Y. Ren, Jean-Philip Piquemal:
Scalable improvement of SPME multipolar electrostatics in anisotropic polarizable molecular mechanics using a general short-range penetration correction up to quadrupoles. J. Comput. Chem. 37(5): 494-506 (2016)

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