Kernel-based Minimal Distributed Charges: A Conformationally Dependent ESP-Model for Molecular Simulations

Fuente: arXiv

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Bibliographic Details
Main Authors:	Boittier, Eric, Töpfer, Kai, Devereux, Mike, Meuwly, Markus
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2406.00513