Major Advance in Crystal Structure Prediction von Neumann, Marcus A, Leusen, Frank J.J, Kendrick, John

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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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Prediction of the Mechanical Behaviour of Crystalline Solids von Shariare, Mohammad Hossain, Leusen, Frank J. J., de Matas, Marcel, York, Peter, Anwar, Jamshed

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Revisiting the Blind Tests in Crystal Structure Prediction: Accurate Energy Ranking of Molecular Crystals von Asmadi, Aldi, Neumann, Marcus A, Kendrick, John, Girard, Pascale, Perrin, Marc-Antoine, Leusen, Frank J. J

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Influence of Solvent on the Morphology and Subsequent Comminution of Ibuprofen Crystals by Air Jet Milling von Shariare, Mohammad H., Blagden, Nicholas, Matas, Marcel de, Leusen, Frank J.J., York, Peter

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Predictability of the polymorphs of small organic compounds: Crystal structure predictions of four benchmark blind test molecules von CHAN, H. C. Stephen, KENDRICK, John, LEUSEN, Frank J. J

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Co‐crystallization with Nicotinamide in Two Conformations Lowers Energy but Expands Volume von Zhang, Si‐Wei, Kendrick, John, Leusen, Frank J.J., Yu, Lian

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Crystal structure prediction and isostructurality of three small organic halogen compounds von ASMADI, Aldi, KENDRICK, John, LEUSEN, Frank J. J

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Progress in Crystal Structure Prediction von Kendrick, John, Leusen, Frank J. J., Neumann, Marcus A., van de Streek, Jacco

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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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Predicting the Spontaneous Chiral Resolution by Crystallization of a Pair of Flexible Nitroxide Radicals von Gourlay, Matthew D, Kendrick, John, Leusen, Frank J. J

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Coformer Replacement as an Indicator for Thermodynamic Instability of Cocrystals: Competitive Transformation of Caffeine:Dicarboxylic Acid von Alsirawan, MHD. Bashir, Vangala, Venu R, Kendrick, John, Leusen, Frank J. J, Paradkar, Anant

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Crystal Structure Prediction of a Flexible Molecule of Pharmaceutical Interest with Unusual Polymorphic Behavior von Kendrick, John, Stephenson, Gregory A, Neumann, Marcus A, Leusen, Frank J. J

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Molecule VI, a Benchmark Crystal-Structure-Prediction Sulfonimide: Are Its Polymorphs Predictable? von Chan, H. C. Stephen, Kendrick, John, Leusen, Frank J. J.

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Towards ab initio screening of co-crystal formation through lattice energy calculations and crystal structure prediction of nicotinamide, isonicotinamide, picolinamide and paraceta... von Chan, H. C. Stephen, Kendrick, John, Neumann, Marcus A., Leusen, Frank J. J.

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Crystal Structure Prediction and Isostructurality of Three Small Molecules von Asmadi, Aldi, Kendrick, John, Leusen, Frank J. J.

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Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs von Karamertzanis, Panagiotis G, Day, Graeme M, Welch, Gareth W A, Kendrick, John, Leusen, Frank J J, Neumann, Marcus A, Price, Sarah L

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Symmetry Breaking: Polymorphic Form Selection by Enantiomers of the Melatonin Agonist and Its Missing Polymorph von Stephenson, Gregory A, Kendrick, John, Wolfangel, Craig, Leusen, Frank J. J

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Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test von Day, Graeme M., Cooper, Timothy G., Cruz-Cabeza, Aurora J., Hejczyk, Katarzyna E., Ammon, Herman L., Boerrigter, Stephan X. M., Tan, Jeffrey S., Della Valle, Raffaele G., Venuti, Elisabetta, Jose, Jovan, Gadre, Shridhar R., Desiraju, Gautam R., Thakur, Tejender S., Van Eijck, Bouke P., Facelli, Julio C., Bazterra, Victor E., Ferraro, Marta B., Hofmann, Detlef W. M., Neumann, Marcus A., Leusen, Frank J. J., Kendrick, John, Price, Sarah L., Misquitta, Alston J., Karamertzanis, Panagiotis G., Welch, Gareth W. A., Scheraga, Harold A., Arnautova, Yelena A., Schmidt, Martin U., Van De Streek, Jacco, Wolf, Alexandra K., Schweizer, Bernd

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Empirical van der Waals corrections to solid-state density functional theory: Iodine and phosphorous containing molecular crystals von Kendrick, John, Leusen, Frank J. J., Neumann, Marcus A.

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