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"Scalable improvement of SPME multipolar electrostatics in anisotropic ..."
Christophe Narth et al. (2016)
- 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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