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Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems. (2023)

First Author: Guan J

Attributed to: Embedded Cluster Modelling for Realistic Solid-State Systems funded by UKRI FLF

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