Molecular modeling of the interface of an egg yolk protein-based emulsion von Ferrari, Marco, Handgraaf, Jan-Willem, Boccardo, Gianluca, Buffo, Antonio, Vanni, Marco, Marchisio, Daniele L.

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Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis von Fonseca Guerra, Célia, Handgraaf, Jan-Willem, Baerends, Evert Jan, Bickelhaupt, F. Matthias

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Realistic Modeling of Ruthenium-Catalyzed Transfer Hydrogenation von Handgraaf, Jan-Willem, Meijer, Evert Jan

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A Multiscale Approach for Estimating Permeability and Migration of Large Permeants through Poly(Phenylene Ether) von Sweere, Augustinus J. M., Patham, Bhaskar, Sugur, Vijayakumar, Handgraaf, Jan‐Willem, Rodgers, Patrick

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A Multiscale Approach for Estimating Permeability Properties of Polymers with Complex Aromatic Backbones: A Case Study on Diffusivity of Small Gas Molecules in Polyphenylene Ether von Sweere, Augustinus J. M., Patham, Bhaskar, Sugur, Vijayakumar, Handgraaf, Jan‐Willem

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Coarse-Grained Simulations of Polymer-Grafted Nanoparticles: Structural Stability and Interfacial Behavior von Nair, Nitish, Park, Michelle, Handgraaf, Jan-Willem, Cassiola, Flavia M

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A Complete Multiscale Modelling Approach for Polymer–Clay Nanocomposites von Scocchi, Giulio, Posocco, Paola, Handgraaf, Jan‐Willem, Fraaije, Johannes G. E. M., Fermeglia, Maurizio, Pricl, Sabrina

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Molecular dynamics study of onset of water gelation around the collagen triple helix von Handgraaf, Jan-Willem, Zerbetto, Francesco

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Density-functional theory-based molecular simulation study of liquid methanol von Handgraaf, Jan-Willem, Meijer, Evert Jan, Gaigeot, Marie-Pierre

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Iridium(I) versus Ruthenium(II). A Computational Study of the Transition Metal Catalyzed Transfer Hydrogenation of Ketones von Handgraaf, Jan-Willem, Reek, Joost N. H, Meijer, Evert Jan

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Chiral Induction Effects in Ruthenium(II) Amino Alcohol Catalysed Asymmetric Transfer Hydrogenation of Ketones: An Experimental and Theoretical Approach von Petra, Daniëlle G. I., Reek, Joost N. H., Handgraaf, Jan-Willem, Meijer, Evert Jan, Dierkes, Peter, Kamer, Paul C. J., Brussee, Johannes, Schoemaker, Hans E., van Leeuwen, Piet W. N. M.

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Method of Moments for Computational Microemulsion Analysis and Prediction in Tertiary Oil Recovery von Fraaije, Johannes G. E. M, Tandon, Kunj, Jain, Shekhar, Handgraaf, Jan-Willem, Buijse, Marten

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Multiscale Computer Simulation Studies of Water-Based Montmorillonite/Poly(ethylene oxide) Nanocomposites von Toth, Radovan, Voorn, Dirk-Jan, Handgraaf, Jan-Willem, Fraaije, Johannes G. E. M, Fermeglia, Maurizio, Pricl, Sabrina, Posocco, Paola

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Uniting Polypeptides with Sequence-Designed Peptides: Synthesis and Assembly of Poly(γ-benzyl l-glutamate)-b-Coiled-Coil Peptide Copolymers von Marsden, Hana Robson, Handgraaf, Jan-Willem, Nudelman, Fabio, Sommerdijk, Nico A. J. M, Kros, Alexander

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Continuous Chirality Measure in Reaction Pathways of Ruthenium-Catalyzed Transfer Hydrogenation of Ketones von Handgraaf, Jan-Willem, Reek, Joost N. H., Bellarosa, Luca, Zerbetto, Francesco

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Supramolecular Structure of Self-Assembling Alamethicin Analog Studied by ESR and PELDOR von Milov, Alexander D., Samoilova, Marina I., Tsvetkov, Yuri D., Jost, Micha, Peggion, Cristina, Formaggio, Fernando, Crisma, Marco, Toniolo, Claudio, Handgraaf, Jan-Willem, Raap, Jan

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Structure of Self-Aggregated Alamethicin in ePC Membranes Detected by Pulsed Electron-Electron Double Resonance and Electron Spin Echo Envelope Modulation Spectroscopies von Milov, Alexander D., Samoilova, Rimma I., Tsvetkov, Yuri D., De Zotti, Marta, Formaggio, Fernando, Toniolo, Claudio, Handgraaf, Jan-Willem, Raap, Jan

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Solvent Effects on the Secondary Structure of the Membrane-Active Zervamicin Determined by PELDOR Spectroscopy von Milov, Alexander D., Tsvetkov, Yuri D., Gorbunova, Elena Y., Mustaeva, Leyla G., Ovchinnikova, Tatiana V., Handgraaf, Jan-Willem, Raap, Jan

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Ab initio molecular dynamics study of liquid methanol von Handgraaf, Jan-Willem, van Erp, Titus S, Meijer, Evert Jan

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Microemulsion interface model for chemical enhanced oil recovery design von Hon, Vai Yee, Saaid, Ismail Mohd, Chai, Ivy Ching Hsia, Fauzi, Noor 'Aliaa Amira M., Deguillard, Estelle, van Male, Jan, Handgraaf, Jan-Willem

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