Applications of crystal structure prediction – organic molecular structures: general discussion

Claire Adjiman; Jan Gerit Brandenburg; Doris E. Braun; Jason Cole; Christopher Collins; Andrew I. Cooper; Aurora Cruz-Cabeza; Graeme Day; Marta Dudek; Alan Hare; Luca Iuzzolino; David McKay; John Blayney Owen Mitchell; Sharmarke Mohamed; Sridhar Neelamraju; Marcus Neumann; Sten Nilsson Lill; Jonas Nyman; Artem R. Oganov; Sarah L. Price; Angeles Pulido; Susan Reutzel-Edens; Ivo Rietveld; Michael T. Ruggiero; J. Christian Schön; Seji Tsuzuki; Joost van den Ende; Grahame Woollam; Qiang Zhu

doi:10.1039/C8FD90032A

Applications of crystal structure prediction – organic molecular structures: general discussion

Claire Adjiman
, Jan Gerit Brandenburg
, Doris E. Braun
, Jason Cole
, Christopher Collins
, Andrew I. Cooper
, Aurora Cruz-Cabeza
, Graeme Day
, Marta Dudek
, Alan Hare
, Luca Iuzzolino
, David McKay
, John Blayney Owen Mitchell
, Sharmarke Mohamed
, Sridhar Neelamraju
, Marcus Neumann
, Sten Nilsson Lill
, Jonas Nyman
, Artem R. Oganov
, Sarah L. Price

Angeles Pulido, Susan Reutzel-Edens, Ivo Rietveld, Michael T. Ruggiero, J. Christian Schön, Seji Tsuzuki, Joost van den Ende, Grahame Woollam, Qiang Zhu

Research output: Contribution to journal › Comment/debate › peer-review

Original language	English
Pages (from-to)	493-539
Journal	Faraday Discussions
Volume	211
DOIs	https://doi.org/10.1039/C8FD90032A
Publication status	Published - 4 Oct 2018
Event	Methods and applications of cystal structure prediction Faraday Discussion - Cambridge, United Kingdom Duration: 11 Jul 2018 → 13 Jul 2018 http://www.rsc.org/events/detail/24508/methods-and-applications-of-crystal-structure-prediction-faraday-discussion

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1 Comment/debate

Structure searching methods: general discussion
Addicoat, M., Adjiman, C. S., Arhangelskis, M., Beran, G. J. O., Brandenburg, J. G., Braun, D. E., Burger, V., Burow, A., Collins, C., Cooper, A., Day, G. M., Deringer, V. L., Dyer, M. S., Hare, A., Jelfs, K. E., Keupp, J., Konstantinopoulos, S., Li, Y., Ma, Y. & Marom, N. & 19 others, McKay, D., Mellot-Draznieks, C., Mohamed, S., Neumann, M., Nilsson Lill, S., Nyman, J., Oganov, A. R., Price, S. L., Reutzel-Edens, S., Ruggiero, M., Sastre, G., Schmid, R., Schmidt, J., Schön, J. C., Spackman, P., Tsuzuki, S., Woodley, S. M., Yang, S. & Zhu, Q., 11 Oct 2018, In: Faraday Discussions. 211, p. 133-180 48 p.
Research output: Contribution to journal › Comment/debate › peer-review

Cite this

Adjiman, C., Brandenburg, J. G., Braun, D. E., Cole, J., Collins, C., Cooper, A. I., Cruz-Cabeza, A., Day, G., Dudek, M., Hare, A., Iuzzolino, L., McKay, D., Mitchell, J. B. O., Mohamed, S., Neelamraju, S., Neumann, M., Lill, S. N., Nyman, J., Oganov, A. R., ... Zhu, Q. (2018). Applications of crystal structure prediction – organic molecular structures: general discussion. Faraday Discussions, 211, 493-539. https://doi.org/10.1039/C8FD90032A

@article{11ace7141ef0402c8bbcc628c011af45,

title = "Applications of crystal structure prediction {\textendash} organic molecular structures: general discussion",

author = "Claire Adjiman and Brandenburg, \{Jan Gerit\} and Braun, \{Doris E.\} and Jason Cole and Christopher Collins and Cooper, \{Andrew I.\} and Aurora Cruz-Cabeza and Graeme Day and Marta Dudek and Alan Hare and Luca Iuzzolino and David McKay and Mitchell, \{John Blayney Owen\} and Sharmarke Mohamed and Sridhar Neelamraju and Marcus Neumann and Lill, \{Sten Nilsson\} and Jonas Nyman and Oganov, \{Artem R.\} and Price, \{Sarah L.\} and Angeles Pulido and Susan Reutzel-Edens and Ivo Rietveld and Ruggiero, \{Michael T.\} and Sch{\"o}n, \{J. Christian\} and Seji Tsuzuki and \{van den Ende\}, Joost and Grahame Woollam and Qiang Zhu",

year = "2018",

month = oct,

day = "4",

doi = "10.1039/C8FD90032A",

language = "English",

volume = "211",

pages = "493--539",

journal = "Faraday Discussions",

issn = "1359-6640",

publisher = "Royal Society of Chemistry",

note = "Methods and applications of cystal structure prediction Faraday Discussion ; Conference date: 11-07-2018 Through 13-07-2018",

url = "http://www.rsc.org/events/detail/24508/methods-and-applications-of-crystal-structure-prediction-faraday-discussion",

}

Adjiman, C, Brandenburg, JG, Braun, DE, Cole, J, Collins, C, Cooper, AI, Cruz-Cabeza, A, Day, G, Dudek, M, Hare, A, Iuzzolino, L, McKay, D, Mitchell, JBO, Mohamed, S, Neelamraju, S, Neumann, M, Lill, SN, Nyman, J, Oganov, AR, Price, SL, Pulido, A, Reutzel-Edens, S, Rietveld, I, Ruggiero, MT, Schön, JC, Tsuzuki, S, van den Ende, J, Woollam, G & Zhu, Q 2018, 'Applications of crystal structure prediction – organic molecular structures: general discussion', Faraday Discussions, vol. 211, pp. 493-539. https://doi.org/10.1039/C8FD90032A

TY - JOUR

T1 - Applications of crystal structure prediction – organic molecular structures

T2 - Methods and applications of cystal structure prediction Faraday Discussion

AU - Adjiman, Claire

AU - Brandenburg, Jan Gerit

AU - Braun, Doris E.

AU - Cole, Jason

AU - Collins, Christopher

AU - Cooper, Andrew I.

AU - Cruz-Cabeza, Aurora

AU - Day, Graeme

AU - Dudek, Marta

AU - Hare, Alan

AU - Iuzzolino, Luca

AU - McKay, David

AU - Mitchell, John Blayney Owen

AU - Mohamed, Sharmarke

AU - Neelamraju, Sridhar

AU - Neumann, Marcus

AU - Lill, Sten Nilsson

AU - Nyman, Jonas

AU - Oganov, Artem R.

AU - Price, Sarah L.

AU - Pulido, Angeles

AU - Reutzel-Edens, Susan

AU - Rietveld, Ivo

AU - Ruggiero, Michael T.

AU - Schön, J. Christian

AU - Tsuzuki, Seji

AU - van den Ende, Joost

AU - Woollam, Grahame

AU - Zhu, Qiang

PY - 2018/10/4

Y1 - 2018/10/4

U2 - 10.1039/C8FD90032A

DO - 10.1039/C8FD90032A

M3 - Comment/debate

SN - 1359-6640

VL - 211

SP - 493

EP - 539

JO - Faraday Discussions

JF - Faraday Discussions

Y2 - 11 July 2018 through 13 July 2018

ER -

Applications of crystal structure prediction – organic molecular structures: general discussion

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Research output

Structure searching methods: general discussion

Cite this