Electrostatic Embedding To Model the Impact of Environment on Photophysical Properties of Molecular Crystals: A Self-Consistent Charge Adjustment Procedure-Reference-Cited by-同舟云学术

Electrostatic Embedding To Model the Impact of Environment on Photophysical Properties of Molecular Crystals: A Self-Consistent Charge Adjustment Procedure

Published:2016-06-16 Issue:7 Volume:12 Page:3316-3324
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Wilbraham Liam¹,Adamo Carlo¹²,Labat Frédéric¹,Ciofini Ilaria¹

Affiliation:

1. PSL Research University, Institut de Recherche de Chimie Paris IRCP, CNRS−Chimie ParisTech, 11 rue Pierre et Marie Curie, F-75005 Paris, France

2. Institut Universitaire de France, 103 Boulevard Saint Michel, F-75005 Paris, France

Funder

European Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00263

Reference37 articles.

1. Mechanically induced luminescence changes in molecular assemblies

2. Excited-state intramolecular proton-transfer (ESIPT)-inspired solid state emitters

3. Crystallization-induced dual emission from metal- and heavy atom-free aromatic acids and esters

4. Aggregation-induced emission: phenomenon, mechanism and applications

5. Ultrafast Light-Induced Spin-State Trapping Photophysics Investigated in Fe(phen)2(NCS)2 Spin-Crossover Crystal

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