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Metallicious : Automated Force-Field Parameterization of Covalently Bound Metals for Supramolecular Structures (2024)

First Author: Piskorz T

Attributed to: Harnessing Electrostatics to Unlock Cage Catalysis: A Combined Experimental Computational Approach funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.4c00850

PubMed Identifier: 39373209

Publication URI: http://europepmc.org/abstract/MED/39373209

Type: Journal Article/Review

Parent Publication: Journal of Chemical Theory and Computation

Issue: 20

ISSN: 1549-9618