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  De Novo Simulation of Charge Transport through Organic Single-Carrier Devices

Kaiser, S., Kotadiya, N. B., Rohloff, R., Fediai, A., Symalla, F., Neumann, T., et al. (2021). De Novo Simulation of Charge Transport through Organic Single-Carrier Devices. Journal of Chemical Theory and Computation, 17(10), 6416-6422. doi:10.1021/acs.jctc.1c00584.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0009-67B0-C Version Permalink: https://hdl.handle.net/21.11116/0000-000B-41F6-6
Genre: Journal Article

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202111_JournChemTheoryComp.pdf (Postprint), 2MB
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202111_JournChemTheoryComp.pdf
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This document is the unedited Author’s version of a Submitted Work that was subsequently accepted for publication in Journal of Chemical Theory and Computation.
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Copyright © American Chemical Society after peer review and technical editing by the publisher.
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 Creators:
Kaiser, Simon1, Author
Kotadiya, Naresh B.2, Author           
Rohloff, Roland2, Author           
Fediai, Artem1, Author
Symalla, Franz3, Author
Neumann, Tobias3, Author
Wetzelaer, Gert-Jan A. H.2, Author           
Blom, Paul W. M.2, Author           
Wenzel, Wolfgang1, Author
Affiliations:
1Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Eggenstein-Leopoldshafen, Germany, ou_persistent22              
2Dept. Blom: Molecular Electronics, MPI for Polymer Research, Max Planck Society, ou_1800284              
3Nanomatch GmbH, Karlsruhe, Germany, ou_persistent22              

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Language(s): eng - English
 Dates: 2021-09-302021-10-12
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1021/acs.jctc.1c00584
 Degree: -

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Project name : EXTMOS
Grant ID : 646176
Funding program : H2020-EU.2.1.3.1. (H2020)
Funding organization : European Commission (EC)

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Title: Journal of Chemical Theory and Computation
  Other : J. Chem. Theory Comput.
Source Genre: Journal
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Publ. Info: Washington, D.C. : American Chemical Society
Pages: - Volume / Issue: 17 (10) Sequence Number: - Start / End Page: 6416 - 6422 Identifier: ISSN: 1549-9618
CoNE: https://pure.mpg.de/cone/journals/resource/111088195283832