Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems. (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/10.1098/rsta.2022.0234
PubMed Identifier: 37211033
Publication URI: http://europepmc.org/abstract/MED/37211033
Type: Journal Article/Review
Volume: 381
Parent Publication: Philosophical transactions. Series A, Mathematical, physical, and engineering sciences
Issue: 2250
ISSN: 1364-503X