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ONIOM(QM:QM') Electrostatic Embedding Schemes for Photochemistry in Molecular Crystals. (2019)

First Author: Rivera M

Attributed to: Towards the Computational Design of Highly Emissive Organic-Single Crystals funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.8b01180

PubMed Identifier: 30865452

Publication URI: http://europepmc.org/abstract/MED/30865452

Type: Journal Article/Review

Volume: 15

Parent Publication: Journal of chemical theory and computation

Issue: 4

ISSN: 1549-9618