Simple formulas for improved point-charge electrostatics in classical force fields and hybrid quantum mechanical/molecular mechanical embedding - Archive ouverte HAL
Journal Articles International Journal of Quantum Chemistry Year : 2008

Simple formulas for improved point-charge electrostatics in classical force fields and hybrid quantum mechanical/molecular mechanical embedding

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Chemical Sciences Theoretical and/or physical chemistry

Jean-Philip Piquemal  : Connect in order to contact the contributor

https://hal.science/hal-02126814

Submitted on : Sunday, May 12, 2019-10:44:12 PM

Last modification on : Thursday, April 11, 2024-1:08:15 PM

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hal-02126814 , version 1 (12-05-2019)

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G. Cisneros, S. Na-Im Tholander, O. Parisel, T. Darden, D. Elking, et al.. Simple formulas for improved point-charge electrostatics in classical force fields and hybrid quantum mechanical/molecular mechanical embedding. International Journal of Quantum Chemistry, 2008, 108 (11), pp.1905-1912. ⟨10.1002/qua.21675⟩. ⟨hal-02126814⟩

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