Simulations of Electron Transfer and Electron Transport in Molecular Systems at Surfaces

CoordinatorThoss, Michael
Grant period2015-05-01 - 2018-04-30
Funding bodyNIC
IdentifierG:(DE-Juel1)her17_20150501

Simulations of Electron Transfer and Electron Transport in Molecular Systems at Substrates

Note: JSC computation time grant
 

Recent Publications

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Controlling the Conductance of a Graphene–Molecule Nanojunction by Proton Transfer
Nano letters 17(6), 3341 - 3346 () [10.1021/acs.nanolett.6b04813] BibTeX | EndNote: XML, Text | RIS

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Solution-based intramolecular singlet fission in cross-conjugated pentacene dimers
Nanoscale 8(19), 10113 - 10123 () [10.1039/C6NR02493A] BibTeX | EndNote: XML, Text | RIS

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Low-Lying Electronic Excited States of Pentacene Oligomers: A Comparative Electronic Structure Study in the Context of Singlet Fission
Journal of chemical theory and computation 11(1), 147 - 156 () [10.1021/ct500510k] BibTeX | EndNote: XML, Text | RIS

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Quantum dynamical simulation of photoinduced electron transfer processes in dye–semiconductor systems: theory and application to coumarin 343 at TiO$_2$
Journal of physics / Condensed matter 27(13), 134202 - () [10.1088/0953-8984/27/13/134202] BibTeX | EndNote: XML, Text | RIS

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Singlet fission in pentacene dimers
Proceedings of the National Academy of Sciences of the United States of America 112(17), 5325 - 5330 () [10.1073/pnas.1422436112] BibTeX | EndNote: XML, Text | RIS

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Single-Molecule Junctions with Epitaxial Graphene Nanoelectrodes
Nano letters 15(5), 3512 - 3518 () [10.1021/acs.nanolett.5b00877] BibTeX | EndNote: XML, Text | RIS

All known publications ...
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 Record created 2016-09-21, last modified 2020-09-21



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