Multiscale Simulations on Charge Transport in Covalent Organic Frameworks Including Dynamics of Transfer Integrals from the FMO-DFTB/LCMO Approach

Published 2017 View Full Article

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Title
Multiscale Simulations on Charge Transport in Covalent Organic Frameworks Including Dynamics of Transfer Integrals from the FMO-DFTB/LCMO Approach
Authors
Keywords
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Journal
Journal of Physical Chemistry C
Volume 121, Issue 33, Pages 17712-17726
Publisher
American Chemical Society (ACS)
Online
2017-07-20
DOI
10.1021/acs.jpcc.7b05779

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