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Entries: 1-4  
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NMR solvent shifts of adenine in aqueous solution from hybrid QM/MM molecular dynamics simulations
Authors: Komin, S.; Gossens, C.; Tavernelli, I.; Rothlisberger, U.; Sebastiani, Daniel
Date of Publication (YYYY-MM-DD): 2007
Title of Journal: Journal of Physical Chemistry B
Volume: 111
Issue / Number: 19
Start Page: 5225
End Page: 5232
Document Type: Article
ID: 316559.0
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: 1-4  
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