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Direct Grid-Based Nonadiabatic Dynamics on Machine-Learned Potential Energy Surfaces: Application to Spin-Forbidden Processes. (2020)

First Author: Richings GW

Attributed to: Rational design of photoactive molecules using "black box" quantum dynamics simulations funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jpca.0c06125

PubMed Identifier: 33104337

Publication URI: http://europepmc.org/abstract/MED/33104337

Type: Journal Article/Review

Volume: 124

Parent Publication: The journal of physical chemistry. A

Issue: 44

ISSN: 1089-5639