Molecular dynamics and charge transport in organic semiconductors: a classical approach to modeling electron transfer† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sc04547b Click here for additional data file.
نویسندگان
چکیده
Center for Nanoscale Materials, Argonne Lemont, IL 60439, USA. E-mail: kpelzer@an Materials Science Division, Argonne Nation 60439, USA Argonne Leadership Computing Facility, A Ave., Lemont, IL 60439, USA Theoretical Division, Center for Nonl Nanotechnologies, Los Alamos National Lab Mathematics and Computer Science Divis Cass Ave., Argonne, IL 60439, USA Computation Institute, University of Chicag USA Computer, Environment, and Life Sciences, Ave., Lemont, IL 60439, USA Department of Chemistry, Massachusetts I Ave, Cambridge, MA 02139, USA Computational Science Center, National Ren W. Parkway, Golden, CO 80401, USA Institute for Molecular Engineering, Univers IL 60637, USA † Electronic supplementary informa 10.1039/c6sc04547b Cite this: Chem. Sci., 2017, 8, 2597
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