Deciphering the Mechanism of Aggregation-Induced Emission of a Quinazolinone Derivative Displaying Excited-State Intramolecular Proton-Transfer Properties: A QM, QM/MM, and MD Study

Title
Deciphering the Mechanism of Aggregation-Induced Emission of a Quinazolinone Derivative Displaying Excited-State Intramolecular Proton-Transfer Properties: A QM, QM/MM, and MD Study
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 15, Issue 10, Pages 5440-5447
Publisher
American Chemical Society (ACS)
Online
2019-08-22
DOI
10.1021/acs.jctc.9b00421

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