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NQCDynamics.jl: A Julia package for nonadiabatic quantum classical molecular dynamics in the condensed phase. (2022)

First Author: Gardner J

Attributed to: Computational prediction of hot-electron chemistry: Towards electronic control of catalysis funded by UKRI FLF

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/5.0089436

PubMed Identifier: 35525649

Publication URI: http://europepmc.org/abstract/MED/35525649

Type: Journal Article/Review

Volume: 156

Parent Publication: The Journal of chemical physics

Issue: 17

ISSN: 0021-9606