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Design Of Next Generation Force Fields From AB Initio Computations: Beyond Point Charges Electrostatics

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https://hal.archives-ouvertes.fr/hal-02127328
Contributor : Jean-Philip Piquemal <>
Submitted on : Monday, May 13, 2019 - 1:26:23 PM
Last modification on : Friday, May 7, 2021 - 7:44:04 PM

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  • HAL Id : hal-02127328, version 1

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G.A. Cisneros, T.A. Darden, N. Gresh, J. Pilme, P. Reinhardt, et al.. Design Of Next Generation Force Fields From AB Initio Computations: Beyond Point Charges Electrostatics. Multi-scale Quantum Models for Biocatalysis: Modern Techniques and Applications, Springer Netherlands, pp.137-172, 2009. ⟨hal-02127328⟩

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