Analytic Energy, Gradient, and Hessian of Electrostatic Embedding QM/MM Based on Electrostatic Potential-Fitted Atomic Charges Scaling Linearly with the MM Subsystem Size
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| Description | scientific article published on 07 December 2020 |
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author: Miquel Huix-Rotllant Nicolas Ferré |
| Publication date | December 7, 2020 |
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