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Inverse molecular design and parameter optimization with Hückel theory using automatic differentiation

Fuente: arXiv

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Bibliographic Details
Main Authors:	Vargas-Hernández, R. A., Jorner, K., Pollice, R., Aspuru-Guzik, A.
Format:	Preprint
Published:	2022
Subjects:	Chemical Physics Computational Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

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