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