Investigation of Water Structure in Nafion Membranes by Infrared Spectroscopy and Molecular Dynamics Simulation von Hofmann, Detlef W. M, Kuleshova, Liudmila, D’Aguanno, Bruno, Di Noto, Vito, Negro, Enrico, Conti, Fosca, Vittadello, Michele

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Crystal structure prediction of small organic molecules: a second blind test von Motherwell, W. D. Sam, Ammon, Herman L., Dunitz, Jack D., Dzyabchenko, Alexander, Erk, Peter, Gavezzotti, Angelo, Hofmann, Detlef W. M., Leusen, Frank J. J., Lommerse, Jos P. M., Mooij, Wijnand T. M., Price, Sarah L., Scheraga, Harold, Schweizer, Bernd, Schmidt, Martin U., Van Eijck, Bouke P., Verwer, Paul, Williams, Donald E.

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Deuterium Shifts the Equilibrium: How Heavy Water Can Influence Organic Multicomponent Crystal Formation von Enkelmann, Dennis D, Hofmann, Detlef W. M, Merz, Klaus

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Synthesis and Physicochemical Characterization of Ce1-xGdxO2-[delta]: A Case Study on the Impact of the Oxygen Storage Capacity on the HCl Oxidation Reaction von Moller, Maren, Urban, Sven, Cop, Pascal, Weller, Tobias, Ellinghaus, Rudiger, Kleine-Boymann, Matthias, Fiedler, Carsten, Sann, Joachim, Janek, Jurgen, Chen, Limei, Klar, Peter J, Hofmann, Detlef M, Philipps, Jan, Dolcet, Paolo, Gross, Silvia, Over, Herbert, Smarsly, Bernd M

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Cocrystals of Pentoxifylline: In Silico and Experimental Screening von Stepanovs, Dmitrijs, Jure, Ma̅ra, Kuleshova, Liudmila N, Hofmann, Detlef W. M, Mishnev, Anatoly

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A test of crystal structure prediction of small organic molecules von Lommerse, Jos P. M., Motherwell, W. D. Sam, Ammon, Herman L., Dunitz, Jack D., Gavezzotti, Angelo, Hofmann, Detlef W. M., Leusen, Frank J. J., Mooij, Wijnand T. M., Price, Sarah L., Schweizer, Bernd, Schmidt, Martin U., Van Eijck, Bouke P., Verwer, Paul, Williams, Donald E.

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Crystal Structures of Pigment Red 170 and Derivatives, as Determined by X-ray Powder Diffraction von Schmidt, Martin U., Hofmann, Detlef W. M., Buchsbaum, Christian, Metz, Hans Joachim

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Molecular dynamics simulation of hydrated Nafion with a reactive force field for water von Hofmann, Detlef W. M., Kuleshova, Liudmila, D’Aguanno, Bruno

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Supramolecular Synthons and Crystal Structure Prediction of Organic Compounds von Hofmann, Detlef W. M, Kuleshova, Ludmila N, Antipin, Mikhail Yu

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Effect of fluorination on the crystal and electronic structure of organometallic cyclopentadienyl-phenylenediamino-cobalt complexes von Pilia, Luca, Shuku, Yoshiaki, Dalgleish, Simon, Hofmann, Detlef W.M., Melis, Nicola, Awaga, Kunio, Robertson, Neil

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Towards crystal structure prediction of complex organic compounds - a report on the fifth blind test von Bardwell, David A., Adjiman, Claire S., Arnautova, Yelena A., Bartashevich, Ekaterina, Boerrigter, Stephan X. M., Braun, Doris E., Cruz-Cabeza, Aurora J., Day, Graeme M., Della Valle, Raffaele G., Desiraju, Gautam R., van Eijck, Bouke P., Facelli, Julio C., Ferraro, Marta B., Grillo, Damian, Habgood, Matthew, Hofmann, Detlef W. M., Hofmann, Fridolin, Jose, K. V. Jovan, Karamertzanis, Panagiotis G., Kazantsev, Andrei V., Kendrick, John, Kuleshova, Liudmila N., Leusen, Frank J. J., Maleev, Andrey V., Misquitta, Alston J., Mohamed, Sharmarke, Needs, Richard J., Neumann, Marcus A., Nikylov, Denis, Orendt, Anita M., Pal, Rumpa, Pantelides, Constantinos C., Pickard, Chris J., Price, Louise S., Price, Sarah L., Scheraga, Harold A., van de Streek, Jacco, Thakur, Tejender S., Tiwari, Siddharth, Venuti, Elisabetta, Zhitkov, Ilia K.

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Synthesis and Physicochemical Characterization of Ce1−xGdxO2−δ: A Case Study on the Impact of the Oxygen Storage Capacity on the HCl Oxidation Reaction von Möller, Maren, Urban, Sven, Cop, Pascal, Weller, Tobias, Ellinghaus, Rüdiger, Kleine-Boymann, Matthias, Fiedler, Carsten, Sann, Joachim, Janek, Jürgen, Chen, Limei, Klar, Peter J., Hofmann, Detlef M., Philipps, Jan, Dolcet, Paolo, Gross, Silvia, Over, Herbert, Smarsly, Bernd M.

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Synthesis and Physicochemical Characterization of Ce 1− x Gd x O 2− δ : A Case Study on the Impact of the Oxygen Storage Capacity on the HCl Oxidation Reaction von Möller, Maren, Urban, Sven, Cop, Pascal, Weller, Tobias, Ellinghaus, Rüdiger, Kleine‐Boymann, Matthias, Fiedler, Carsten, Sann, Joachim, Janek, Jürgen, Chen, Limei, Klar, Peter J., Hofmann, Detlef M., Philipps, Jan, Dolcet, Paolo, Gross, Silvia, Over, Herbert, Smarsly, Bernd M.

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A new reactive potential for the molecular dynamics simulation of liquid water von Hofmann, Detlef W.M., Kuleshova, Liudmila, D’Aguanno, Bruno

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Seventh CCDC Blind Test: Calculated Crystal Structures von Hofmann, Detlef W. M., Kuleshova, Liudmila N., Pilia, Luca

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Seventh CCDC Blind Test: Calculated Crystal Structures von Hofmann, Detlef W. M., Kuleshova, Liudmila N., Pilia, Luca

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Seventh CCDC Blind Test: Calculated Crystal Structures von Hofmann, Detlef W. M., Kuleshova, Liudmila N., Pilia, Luca

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Seventh CCDC Blind Test: Calculated Crystal Structures von Hofmann, Detlef W. M., Kuleshova, Liudmila N., Pilia, Luca

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Temperature and pressure in computational crystallography: a case study of ice von Hofmann, Detlef W. M., Cogoni, Marco, Kuleshova, Liudmila N., D'Aguanno, Bruno

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Crystal Structure Prediction based on Statistical Potentials von Hofmann, Detlef W. M., Lengauer, Thomas

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