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Entries: 1-7  
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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
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
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
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
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
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
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
Entries: 1-7  
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