Water–Methanol Mixtures: Simulations of Mixing Properties over the Entire Range of Mole Fractions von Soetens, Jean-Christophe, Bopp, Philippe A

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Enantioselective recognition at mesoporous chiral metal surfaces von Wattanakit, Chularat, Côme, Yémima Bon Saint, Lapeyre, Veronique, Bopp, Philippe A., Heim, Matthias, Yadnum, Sudarat, Nokbin, Somkiat, Warakulwit, Chompunuch, Limtrakul, Jumras, Kuhn, Alexander

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Development of a MOF-FF-compatible interaction model for liquid methanol and Cl− in methanol von Siwaipram, Siwarut, Bopp, Philippe A., Soetens, Jean-Christophe, Schmid, Rochus, Bureekaew, Sareeya

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Structure and Dynamics of Water Confined in Single-Wall Nanotubes von Nanok, Tanin, Artrith, Nongnuch, Pantu, Piboon, Bopp, Philippe A, Limtrakul, Jumras

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Molecular Insight into the Swelling of a MOF: A Force-Field Investigation of Methanol Uptake in MIL-88B(Fe)–Cl von Siwaipram, Siwarut, Bopp, Philippe A, Keupp, Julian, Pukdeejorhor, Ladawan, Soetens, Jean-Christophe, Bureekaew, Sareeya, Schmid, Rochus

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Different structures give similar vibrational spectra: the case of OH- in aqueous solution von Mitev, Pavlin D, Bopp, Philippe A, Petreska, Jasmina, Coutinho, Kaline, Ågren, Hans, Pejov, Ljupco, Hermansson, Kersti

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Non-equilibrium molecular dynamics simulation of the thermocapillary effect von Maier, Holger A., Bopp, Philippe A., Hampe, Manfred J.

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MD studies of methanol confined in the metal-organic framework MOF MIL-88B-Cl von Siwaipram, Siwarut, Bopp, Philippe A., Ponchai, Panyapat, Soetens, Jean-Christophe, Hasegawa, Jun-ya, Schmid, Rochus, Bureekaew, Sareeya

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Effect of the cation model on the equilibrium structure of poly-L-glutamate in aqueous sodium chloride solution von Marchand, Gabriel, Soetens, Jean-Christophe, Jacquemin, Denis, Bopp, Philippe A

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Formic Acid on TiO2–x (110): Dissociation, Motion, and Vacancy Healing von Hu, Shuanglin, Bopp, Philippe A, Österlund, Lars, Broqvist, Peter, Hermansson, Kersti

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Molecular Simulations of Hydrated Proton Exchange Membranes: the Structure von Marchand, Gabriel, Bopp, Philippe A., Spohr, Eckhard

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The Permeation of Methane Molecules through Silicalite-1 Surfaces von Thompho, Somphob, Chanajaree, Rungroj, Remsungnen, Tawun, Hannongbua, Supot, Bopp, Philippe A, Fritzsche, Siegfried

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Alfred Klemm, Connoisseur and Collector of Books and Fine Arts von Christian Vogel, Ph, A. Bopp, Philippe

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Structure and Self-Diffusion of Water Molecules in Chabazite:  A Molecular Dynamics Study von Jost, Steffen, Biswas, Parthapratim, Schüring, Andreas, Kärger, Jörg, Bopp, Philippe A, Haberlandt, Reinhold, Fritzsche, Siegfried

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Frequency and wave-vector dependent dielectric function of water: Collective modes and relaxation spectra von Bopp, Philippe A., Kornyshev, Alexei A., Sutmann, Godehard

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Static nonlocal dielectric function of liquid water von Bopp, PA, Kornyshev, AA, Sutmann, G

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Structural and dynamical properties of liquid–liquid interfaces: A systematic molecular dynamics study von Buhn, Jörn B., Bopp, Philippe A., Hampe, Manfred J.

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A molecular dynamics study of a liquid–liquid interface: structure and dynamics von Buhn, Jörn B., Bopp, Philippe A., Hampe, Manfred J.

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Theoretical Studies on the Pyridine−I2 Charge-Transfer Complex. 1. Ab-Initio Calculations on I2 and Pyridine−I2 von Reiling, Stephan, Besnard, Marcel, Bopp, Philippe A

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Molecular dynamics simulations of aqueous LiCl solutions at room temperature through the entire concentration range von Ibuki, Kazuyasu, Bopp, Philippe A.

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