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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

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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)Energy-Structure-Function Maps: Cartography for Materials DiscoveryG. Day, and A. Cooper. Advanced Materials, (Dec 4, 2017)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)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)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)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)Crystal structure evaluation: calculating relative stabilities and other criteria: general discussionM. Addicoat, C. Adjiman, M. Arhangelskis, G. Beran, D. Bowskill, J. Brandenburg, D. Braun, V. Burger, J. Cole, A. Cruz-Cabeza and 31 other author(s). Faraday Discussions, (2018)De Novo Determination of the Crystal Structure of a Large Drug Molecule by Crystal Structure Prediction-Based Powder NMR CrystallographyM. Baias, J. Dumez, P. Svensson, S. Schantz, G. Day, and L. Emsley. Journal of the American Chemical Society, 135 (46): 17501--17507 (Nov 20, 2013)Database guided conformation selection in crystal structure prediction of alanineT. Cooper, W. Jones, S. Motherwell, and G. Day. CrystEngComm, 9 (7): 595--602 (2007)

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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

copy delete add this publication to your clipboard
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URL
DOI
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Chicago
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Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test