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Development of ReaxFF Reactive Force Field for Aqueous Iron-Sulfur Clusters with Applications to Stability and Reactivity in Water. (2021)

First Author: Moerman E

Attributed to: Intrinsically Multifunctional Energy Landscapes: A New Paradigm for Molecular Design funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jcim.0c01292

PubMed Identifier: 33617718

Publication URI: http://europepmc.org/abstract/MED/33617718

Type: Journal Article/Review

Volume: 61

Parent Publication: Journal of chemical information and modeling

Issue: 3

ISSN: 1549-9596