Investigation of Water Structure in Nafion Membranes by Infrared Spectroscopy and Molecular Dynamics Simulation
Hofmann, Detlef W. M, Kuleshova, Liudmila, D’Aguanno, Bruno, Di Noto, Vito, Negro, Enrico, Conti, Fosca, Vittadello, Michele
Published in The journal of physical chemistry. B (22.01.2009)
Published in The journal of physical chemistry. B (22.01.2009)
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Journal Article
Crystal structure prediction of small organic molecules: a second blind test
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.
Published in Acta crystallographica. Section B, Structural science (01.08.2002)
Published in Acta crystallographica. Section B, Structural science (01.08.2002)
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Journal Article
Deuterium Shifts the Equilibrium: How Heavy Water Can Influence Organic Multicomponent Crystal Formation
Enkelmann, Dennis D, Hofmann, Detlef W. M, Merz, Klaus
Published in Crystal growth & design (06.09.2017)
Published in Crystal growth & design (06.09.2017)
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Journal Article
Cocrystals of Pentoxifylline: In Silico and Experimental Screening
Stepanovs, Dmitrijs, Jure, Ma̅ra, Kuleshova, Liudmila N, Hofmann, Detlef W. M, Mishnev, Anatoly
Published in Crystal growth & design (05.08.2015)
Published in Crystal growth & design (05.08.2015)
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Journal Article
A test of crystal structure prediction of small organic molecules
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.
Published in Acta crystallographica. Section B, Structural science (01.08.2000)
Published in Acta crystallographica. Section B, Structural science (01.08.2000)
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Journal Article
Molecular dynamics simulation of hydrated Nafion with a reactive force field for water
Hofmann, Detlef W. M., Kuleshova, Liudmila, D’Aguanno, Bruno
Published in Journal of molecular modeling (01.03.2008)
Published in Journal of molecular modeling (01.03.2008)
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Journal Article
Supramolecular Synthons and Crystal Structure Prediction of Organic Compounds
Hofmann, Detlef W. M, Kuleshova, Ludmila N, Antipin, Mikhail Yu
Published in Crystal growth & design (01.11.2004)
Published in Crystal growth & design (01.11.2004)
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Journal Article
Towards crystal structure prediction of complex organic compounds - a report on the fifth blind test
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.
Published in Acta crystallographica. Section B, Structural science (01.12.2011)
Published in Acta crystallographica. Section B, Structural science (01.12.2011)
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Journal Article
Effect of fluorination on the crystal and electronic structure of organometallic cyclopentadienyl-phenylenediamino-cobalt complexes
Pilia, Luca, Shuku, Yoshiaki, Dalgleish, Simon, Hofmann, Detlef W.M., Melis, Nicola, Awaga, Kunio, Robertson, Neil
Published in Journal of organometallic chemistry (01.07.2020)
Published in Journal of organometallic chemistry (01.07.2020)
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Journal Article
A new reactive potential for the molecular dynamics simulation of liquid water
Hofmann, Detlef W.M., Kuleshova, Liudmila, D’Aguanno, Bruno
Published in Chemical physics letters (05.11.2007)
Published in Chemical physics letters (05.11.2007)
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Journal Article
Kristallstrukturen von Pigment Red 170 und Derivaten, bestimmt aus Röntgenpulverdiagrammen
Schmidt, Martin U., Hofmann, Detlef W. M., Buchsbaum, Christian, Metz, Hans Joachim
Published in Angewandte Chemie (13.02.2006)
Published in Angewandte Chemie (13.02.2006)
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Journal Article
Kristallstrukturen von Pigment Red 170 und Derivaten, bestimmt aus Röntgenpulverdiagrammen
Schmidt, Martin U., Hofmann, Detlef W. M., Buchsbaum, Christian, Metz, Hans Joachim
Published in Angewandte Chemie (13.02.2006)
Published in Angewandte Chemie (13.02.2006)
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Journal Article
Crystal structure prediction of small organic molecules: a second blind test
MOTHERWELL, W. D, AMMON, Herman L, PRICE, Sarah L, SCHERAGA, Harold, SCHWEIZER, Bernd, SCHMIDT, Martin U, VAN EIJCK, Bouke P, VERWER, Paul, WILLIAMS, Donald E, 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
Published in Acta crystallographica. Section B, Structural science (2002)
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Published in Acta crystallographica. Section B, Structural science (2002)
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