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Entries: 1-10  
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Ionic liquids studied across different scales: A computational perspective
Authors: Wendler, K.; Dommert, F.; Zhao, Y. Y.; Berger, R.; Holm, Christian; Delle Site, Luigi
Date of Publication (YYYY-MM-DD): 2012
Title of Journal: Faraday Discussions
Volume: 154
Start Page: 111
End Page: 132
Document Type: Article
ID: 577422.0
Kirkwood-Buff Analysis of Liquid Mixtures in an Open Boundary Simulation
Authors: Mukherji, D.; van der Vegt, Nico F. A.; Kremer, Kurt; Delle Site, Luigi
Date of Publication (YYYY-MM-DD): 2012
Title of Journal: Journal of Chemical Theory and Computation
Volume: 8
Issue / Number: 2
Start Page: 375
End Page: 379
Document Type: Article
ID: 584276.0
Quantum locality and equilibrium properties in low-temperature parahydrogen: A multiscale simulation study
Authors: Potestio, R.; Delle Site, Luigi
Date of Publication (YYYY-MM-DD): 2012
Title of Journal: Journal of Chemical Physics
Volume: 136
Issue / Number: 5
Sequence Number of Article: 054101
Document Type: Article
ID: 596851.0
Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir
Authors: Fritsch, S.; Poblete, S.; Junghans, C.; Ciccotti, G.; Delle Site, Luigi; Kremer, Kurt
Date of Publication (YYYY-MM-DD): 2012
Title of Journal: Physical Review Letters
Volume: 108
Issue / Number: 17
Sequence Number of Article: 170602
Document Type: Article
ID: 610015.0
Short Time Dynamics of Ionic Liquids in AIMD-Based Power Spectra
Authors: Wendler, K.; Brehm, M.; Malberg, F.; Kirchner, B.; Delle Site, Luigi
Date of Publication (YYYY-MM-DD): 2012
Title of Journal: Journal of Chemical Theory and Computation
Volume: 8
Issue / Number: 5
Start Page: 1570
End Page: 1579
Document Type: Article
ID: 610134.0
Multiscale Approaches and Perspectives to Modeling Aqueous Electrolytes and Polyelectrolytes
Authors: Delle Site, Luigi; Holm, Christian; van der Vegt, Nico F. A.
Title of Book: Multiscale Molecular Methods in Applied Chemistry
Start Page: 251
End Page: 294
Date of Publication (YYYY-MM-DD): 2012
Document Type: InBook
ID: 610283.0
Force Fields for Studying the Structure and Dynamics of Ionic Liquids: A Critical Review of Recent Developments
Authors: Dommert, F.; Wendler, K.; Berger, R.; Delle Site, Luigi; Holm, Christian
Date of Publication (YYYY-MM-DD): 2012
Title of Journal: ChemPhysChem
Volume: 13
Issue / Number: 7
Start Page: 1625
End Page: 1637
Document Type: Article
ID: 610407.0
Derivation of Coarse Grained Models for Multiscale Simulation of Liquid Crystalline Phase Transitions
Authors: Mukherjee, B.; Delle Site, Luigi; Kremer, Kurt; Peter, Christine
Date of Publication (YYYY-MM-DD): 2012
Title of Journal: Journal of Physical Chemistry B
Volume: 116
Issue / Number: 29
Start Page: 8474
End Page: 8484
Document Type: Article
ID: 614830.0
Autocatalytic and Cooperatively Stabilized Dissociation of Water on a Stepped Platinum Surface
Authors: Donadio, Davide; Ghiringhelli, L. M.; Delle Site, Luigi
Date of Publication (YYYY-MM-DD): 2012
Title of Journal: Journal of the American Chemical Society
Volume: 134
Issue / Number: 46
Start Page: 19217
End Page: 19222
Document Type: Article
ID: 629054.0
Multiscale modelling of mesoscopic phenomena triggered by quantum events: light-driven azo-materials and beyond
Authors: Böckmann, M.; Marx, D.; Peter, Christine; Delle Site, Luigi; Kremer, Kurt; Doltsinis, N. L.
Date of Publication (YYYY-MM-DD): 2011
Title of Journal: Physical Chemistry Chemical Physics
Volume: 13
Issue / Number: 17
Start Page: 7604
End Page: 7621
Document Type: Article
ID: 562842.0
Entries: 1-10  
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