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Fast-growth thermodynamic integration: Calculating excess chemical Potentials of additive molecules in polymer microstructures
Authors: Hess, B.; Peter, C.; Özal, T.; van der Vegt, Nico F. A.
Date of Publication (YYYY-MM-DD): 2008
Title of Journal: Macromolecules
Volume: 41
Issue / Number: 6
Start Page: 2283
End Page: 2289
Document Type: Article
ID: 357331.0
Classical simulations from the atomistic to the mesoscale and back: coarse graining an azobenzene liquid crystal
Authors: Peter, C.; Delle Site, Luigi; Kremer, Kurt
Date of Publication (YYYY-MM-DD): 2008
Title of Journal: Soft Matter
Volume: 4
Issue / Number: 4
Start Page: 859
End Page: 869
Document Type: Article
ID: 357708.0
Modeling solubilities of additives in polymer micro structures: Single-step perturbation method based on a soft-cavity reference state
Authors: Özal, T. A.; Peter, C.; Hess, B.; van der Vegt, Nico F. A.
Date of Publication (YYYY-MM-DD): 2008
Title of Journal: Macromolecules
Volume: 41
Issue / Number: 13
Start Page: 5055
End Page: 5061
Document Type: Article
ID: 367889.0
Solvent reorganization contributions in solute transfer thermodynamics: Inferences from the solvent equation of state
Authors: Peter, C.; van der Vegt, Nico F. A.
Date of Publication (YYYY-MM-DD): 2007
Title of Journal: Journal of Physical Chemistry B
Volume: 111
Issue / Number: 27
Start Page: 7836
End Page: 7842
Document Type: Article
ID: 319142.0
Atomistic force field for azobenzene compounds adapted for QM/MM simulations with applications to liquids and liquid crystals
Authors: Böckmann, M.; Peter, C.; Delle Site, Luigi; Doltsinis, N. L.; Kremer, Kurt; Marx, D.
Date of Publication (YYYY-MM-DD): 2007
Title of Journal: Journal of Chemical Theory and Computation
Volume: 3
Issue / Number: 5
Start Page: 1789
End Page: 1802
Document Type: Article
ID: 320803.0
Entries: 1-5  
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