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Physical Chemistry Chemical Physics

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Paper

Singlet and triplet excitons and charge polarons in cycloparaphenylenes: a density functional theory study

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Corresponding authors
a
Department of Chemical Engineering, University of Rochester, Rochester, USA
b
Theoretical Division (T-1) and Center for Nonlinear Studies (CNLS), Los Alamos National Laboratory, Los Alamos, USA
E-mail: mila@lanl.gov
c
Center for Integrated Nanotechnologies (CINT), Los Alamos National Laboratory, Los Alamos, USA
Phys. Chem. Chem. Phys., 2015,17, 14613-14622

DOI: 10.1039/C5CP01782C
Received 26 Mar 2015, Accepted 30 Apr 2015
First published online 14 May 2015
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Supplementary Info