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Multiscale QM/MM modelling of catalytic systems with ChemShell. (2023)

First Author: Lu Y

Attributed to: Predictive multiscale free energy simulations of hybrid transition metal catalysts funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1039/d3cp00648d

PubMed Identifier: 37097706

Publication URI: http://europepmc.org/abstract/MED/37097706

Type: Journal Article/Review

Volume: 25

Parent Publication: Physical chemistry chemical physics : PCCP

Issue: 33

ISSN: 1463-9076