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Entries: 1-6  
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Toward Quantitative Structure-Property Relationships for Charge Transfer Rates of Polycyclic Aromatic Hydrocarbons
Authors: Misra, M.; Andrienko, Denis; Baumeier, B.; Faulon, J. L.; von Lilienfeld, O. A.
Date of Publication (YYYY-MM-DD): 2011
Title of Journal: Journal of Chemical Theory and Computation
Volume: 7
Issue / Number: 8
Start Page: 2549
End Page: 2555
Document Type: Article
ID: 571905.0
Tuning electronic eigenvalues of benzene via doping
Authors: Marcon, V.; von Lilienfeld, O. A.; Andrienko, Denis
Date of Publication (YYYY-MM-DD): 2007
Title of Journal: Journal of Chemical Physics
Volume: 127
Issue / Number: 6
Sequence Number of Article: 064305
Document Type: Article
ID: 320071.0
Coarse-grained interaction potentials for polyaromatic hydrocarbons
Authors: von Lilienfeld, O. A.; Andrienko, Denis
Date of Publication (YYYY-MM-DD): 2006
Title of Journal: Journal of Chemical Physics
Volume: 124
Issue / Number: 5
Sequence Number of Article: 054307
Document Type: Article
ID: 254577.0
Variational optimization of effective atom centered potentials for molecular properties
Authors: von Lilienfeld, O. A.; Tavernelli, I.; Rothlisberger, U.; Sebastiani, Daniel
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Journal of Chemical Physics
Volume: 122
Issue / Number: 1
Sequence Number of Article: 014113
Document Type: Article
ID: 210645.0
Performance of optimized atom-centered potentials for weakly bonded systems using density functional theory
Authors: von Lilienfeld, O. A.; Tavernelli, I.; Rothlisberger, U.; Sebastiani, Daniel
Date of Publication (YYYY-MM-DD): 2005
Title of Journal: Physical Review B
Volume: 71
Issue / Number: 19
Sequence Number of Article: 195119
Document Type: Article
ID: 237014.0
Optimization of effective atom centered potentials for London dispersion forces in density functional theory
Authors: von Lilienfeld, O. A.; Tavernelli, I.; Rothlisberger, U.; Sebastiani, Daniel
Date of Publication (YYYY-MM-DD): 2004
Title of Journal: Physical Review Letters
Volume: 93
Issue / Number: 15
Sequence Number of Article: 153004
Document Type: Article
ID: 204578.0
Entries: 1-6  
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