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Title: Dynamics of benzene excimer formation from the parallel-displaced dimer

Abstract

Charge transfer, exciton localization and time scales in benzene excimer formation after a S 0 –S 1 transition from the parallel-displaced structure were characterized by surface-hopping dynamics.

Authors:
ORCiD logo [1];  [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [5]; ORCiD logo [4]
  1. Instituto de Química, Universidade Federal do Rio de Janeiro, Rio de Janeiro, Brazil
  2. Departamento de Química, Instituto Militar de Engenharia, Brazil
  3. Department of Chemistry, Loughborough University, UK
  4. School of Pharmaceutical Sciences and Technology, Tianjin University, Tianjin 300072, P. R. China, Department of Chemistry and Biochemistry
  5. Aix Marseille Univ, CNRS, ICR, Marseille, France
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1488615
Grant/Contract Number:  
C2013A0070
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics Journal Volume: 21 Journal Issue: 26; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Cardozo, Thiago Messias, Galliez, Andre Pessoa, Borges, Itamar, Plasser, Felix, Aquino, Adelia J. A., Barbatti, Mario, and Lischka, Hans. Dynamics of benzene excimer formation from the parallel-displaced dimer. United Kingdom: N. p., 2019. Web. doi:10.1039/C8CP06354K.
Cardozo, Thiago Messias, Galliez, Andre Pessoa, Borges, Itamar, Plasser, Felix, Aquino, Adelia J. A., Barbatti, Mario, & Lischka, Hans. Dynamics of benzene excimer formation from the parallel-displaced dimer. United Kingdom. doi:10.1039/C8CP06354K.
Cardozo, Thiago Messias, Galliez, Andre Pessoa, Borges, Itamar, Plasser, Felix, Aquino, Adelia J. A., Barbatti, Mario, and Lischka, Hans. Wed . "Dynamics of benzene excimer formation from the parallel-displaced dimer". United Kingdom. doi:10.1039/C8CP06354K.
@article{osti_1488615,
title = {Dynamics of benzene excimer formation from the parallel-displaced dimer},
author = {Cardozo, Thiago Messias and Galliez, Andre Pessoa and Borges, Itamar and Plasser, Felix and Aquino, Adelia J. A. and Barbatti, Mario and Lischka, Hans},
abstractNote = {Charge transfer, exciton localization and time scales in benzene excimer formation after a S 0 –S 1 transition from the parallel-displaced structure were characterized by surface-hopping dynamics.},
doi = {10.1039/C8CP06354K},
journal = {Physical Chemistry Chemical Physics},
number = 26,
volume = 21,
place = {United Kingdom},
year = {2019},
month = {7}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on December 13, 2019
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