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Molecular origin of differences in hole and electron mobility in amorphous Alq(3)-a multiscale simulation study |
Authors: Fuchs, A.; Steinbrecher, T.; Mommer, M. S.; Nagata, Yuki; Elstner, M.; Lennartz, C. | Date of Publication (YYYY-MM-DD): 2012 | Title of Journal: Physical Chemistry Chemical Physics | Volume: 14 | Issue / Number: 12 | Start Page: 4259 | End Page: 4270 | Document Type: Article | ID: 604835.0 |
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Challenges for in silico design of organic semiconductors |
Authors: Baumeier, B.; May, F.; Lennartz, C.; Andrienko, Denis | Date of Publication (YYYY-MM-DD): 2012 | Title of Journal: Journal of Materials Chemistry | Volume: 22 | Issue / Number: 22 | Start Page: 10971 | End Page: 10976 | Document Type: Article | ID: 610284.0 |
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Design Rules for Charge-Transport Efficient Host Materials for Phosphorescent Organic Light-Emitting Diodes |
Authors: May, F.; Al-Helwi, M.; Baumeier, B.; Kowalsky, W.; Fuchs, E.; Lennartz, C.; Andrienko, Denis | Date of Publication (YYYY-MM-DD): 2012 | Title of Journal: Journal of the American Chemical Society | Volume: 134 | Issue / Number: 33 | Start Page: 13818 | End Page: 13822 | Document Type: Article | ID: 626146.0 |
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Can Lattice Models Predict the Density of States of Amorphous Organic Semiconductors? |
Authors: May, F.; Baumeier, B.; Lennartz, C.; Andrienko, Denis | Date of Publication (YYYY-MM-DD): 2012 | Title of Journal: Physical Review Letters | Volume: 109 | Issue / Number: 13 | Sequence Number of Article: 136401 | Document Type: Article | ID: 626214.0 |
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Amorphous films of tris(8-hydroxyquinolinato)aluminium: Force-field, morphology, and charge transport |
Authors: Lukyanov, A.; Lennartz, C.; Andrienko, Denis | Date of Publication (YYYY-MM-DD): 2009 | Title of Journal: Physica Status Solidi A-Applications and Materials Science | Volume: 206 | Issue / Number: 12 | Start Page: 2737 | End Page: 2742 | Document Type: Article | ID: 444322.0 |
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QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis |
Authors: Sherwood, P.; de Vries, A. H.; Guest, M. F.; Schreckenbach, G.; Catlow, C. R. A.; French, S. A.; Sokol, A. A.; Bromley, S. T.; Thiel, W.; Turner, A. J.; Billeter, S.; Terstegen, F.; Thiel, S.; Kendrick, J.; Rogers, S. C.; Casci, J.; Watson, M.; King, F.; Karlsen, E.; Sjøvoll, M.; Fahmi, A.; Schäfer, A.; Lennartz, C. | Date of Publication (YYYY-MM-DD): 2003-08-01 | Title of Journal: Journal of Molecular Structure-Theochem | Volume: 632 | Issue / Number: Sp. Iss. Sp. Iss. SI | Start Page: 1 | End Page: 28 | Document Type: Article | ID: 119191.0 |
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Enzymatic reactions of triosephosphate isomerase: A theoretical calibration study |
Authors: Lennartz, C.; Schäfer, A.; Terstegen, F.; Thiel, W. | Date of Publication (YYYY-MM-DD): 2002-02-21 | Title of Journal: Journal of Physical Chemistry B | Volume: 106 | Issue / Number: 7 | Start Page: 1758 | End Page: 1767 | Document Type: Article | ID: 20151.0 |
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