Multiscale QM/MM modelling of catalytic systems with ChemShell (2023)
Attributed to:
Transition metal controlled nitrogen chemistry in zeolite and protein environments using a unified quantum embedding model
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
Parent Publication: Physical Chemistry Chemical Physics
Issue: 33
ISSN: 1463-9076