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Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test

G. Day, T. Cooper, A. Cruz-Cabeza, K. Hejczyk, H. Ammon, S. Boerrigter, J. Tan, R. Della Valle, E. Venuti, J. Jose, S. Gadre, G. Desiraju, T. Thakur, B. van Eijck, J. Facelli, V. Bazterra, M. Ferraro, D. Hofmann, M. Neumann, F. Leusen, J. Kendrick, S. Price, A. Misquitta, P. Karamertzanis, G. Welch, H. Scheraga, Y. Arnautova, M. Schmidt, J. van de Streek, A. Wolf, and B. Schweizer. Acta Cryst. B, 65 (2): 107--125 (April 2009)
DOI: 10.1107/s0108768109004066

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Graeme Smith

Graeme Cokayne

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Graeme Milligan

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Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR SpectroscopyE. Salager, G. Day, R. Stein, C. Pickard, B. Elena, and L. Emsley. J. Am. Chem. Soc., 132 (8): 2564--2566 (Mar 3, 2010)Polymorph Identification and Crystal Structure Determination by a Combined Crystal Structure Prediction and Transmission Electron Microscopy ApproachM. Eddleston, K. Hejczyk, E. Bithell, G. Day, and W. Jones. Chem. Eur. J., 19 (24): 7874--7882 (Jun 10, 2013)Energy-Structure-Function Maps: Cartography for Materials DiscoveryG. Day, and A. Cooper. Advanced Materials, (Dec 4, 2017)Accurate force fields and methods for modelling organic molecular crystals at finite temperaturesJ. Nyman, O. Pundyke, and G. Day. Phys. Chem. Chem. Phys., 18 (23): 15828--15837 (2016)Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind testG. Day, T. Cooper, A. Cruz-Cabeza, K. Hejczyk, H. Ammon, S. Boerrigter, J. Tan, R. Della Valle, E. Venuti, J. Jose and 21 other author(s). Acta Cryst. B, 65 (2): 107--125 (April 2009)Static and lattice vibrational energy differences between polymorphsJ. Nyman, and G. Day. CrystEngComm, 17 (28): 5154--5165 (2015)Applications of crystal structure prediction – organic molecular structures: general discussionC. Adjiman, J. Brandenburg, D. Braun, J. Cole, C. Collins, A. Cooper, A. Cruz-Cabeza, G. Day, M. Dudek, A. Hare and 19 other author(s). Faraday Discussions, (2018)Database guided conformation selection in crystal structure prediction of alanineT. Cooper, W. Jones, S. Motherwell, and G. Day. CrystEngComm, 9 (7): 595--602 (2007)Which conformations make stable crystal structures? Mapping crystalline molecular geometries to the conformational energy landscapeH. Thompson, and G. Day. Chem. Sci., 5 (8): 3173--3182 (2014)Current approaches to predicting molecular organic crystal structuresG. Day. Crystallography Reviews, 17 (1): 3--52 (Jan 1, 2011)

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Disambiguation of "Day, Graeme M."

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Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test

Please choose a person to relate this publication to

Graeme Smith

Graeme Cokayne

Graeme Gange

Graeme Pope

Graeme Milligan

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Day, Graeme M."

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test

Please choose a person to relate this publication to

Graeme Smith

Graeme Cokayne

Graeme Gange

Graeme Pope

Graeme Milligan

Other publications of authors with the same name

Disambiguation

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Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test