Structure searching methods: general discussion

Matthew Addicoat; Claire S. Adjiman; Mihails Arhangelskis; Gregory J. O. Beran; Jan Gerit Brandenburg; Doris E. Braun; Virginia Burger; Asbjoern Burow; Christopher Collins; Andrew Cooper; Graeme M. Day; Volker L. Deringer; Matthew S Dyer; Alan Hare; Kim E. Jelfs; Julian Keupp; Stefanos Konstantinopoulos; Yi Li; Yanming Ma; Noa Marom; David McKay; Caroline Mellot-Draznieks; Sharmarke Mohamed; Marcus Neumann; Sten Nilsson Lill; Jonas Nyman; Artem R. Oganov; Sarah L. Price; Susan Reutzel-Edens; Michael Ruggiero; German Sastre; Rochus Schmid; Julia Schmidt; J. Christian Schön; Peter Spackman; Seiji Tsuzuki; Scott M. Woodley; Shiyue Yang; Qiang Zhu

doi:10.1039/C8FD90030B

Structure searching methods: general discussion

Matthew Addicoat, Claire S. Adjiman, Mihails Arhangelskis, Gregory J. O. Beran, Jan Gerit Brandenburg, Doris E. Braun, Virginia Burger, Asbjoern Burow, Christopher Collins, Andrew Cooper, Graeme M. Day, Volker L. Deringer, Matthew S Dyer, Alan Hare, Kim E. Jelfs, Julian Keupp, Stefanos Konstantinopoulos, Yi Li, Yanming Ma, Noa MaromDavid McKay, Caroline Mellot-Draznieks, Sharmarke Mohamed, Marcus Neumann, Sten Nilsson Lill, Jonas Nyman, Artem R. Oganov, Sarah L. Price, Susan Reutzel-Edens, Michael Ruggiero, German Sastre, Rochus Schmid, Julia Schmidt, J. Christian Schön, Peter Spackman, Seiji Tsuzuki, Scott M. Woodley, Shiyue Yang, Qiang Zhu

School of Chemistry

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

Original language	English
Pages (from-to)	133-180
Number of pages	48
Journal	Faraday Discussions
Volume	211
DOIs	https://doi.org/10.1039/C8FD90030B
Publication status	Published - 11 Oct 2018

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10.1039/C8FD90030B

2 Comment/debate

Applications of crystal structure prediction – organic molecular structures: general discussion
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. & Price, S. L. & 9 others, Pulido, A., Reutzel-Edens, S., Rietveld, I., Ruggiero, M. T., Schön, J. C., Tsuzuki, S., van den Ende, J., Woollam, G. & Zhu, Q., 4 Oct 2018, In: Faraday Discussions. 211, p. 493-539
Research output: Contribution to journal › Comment/debate › peer-review
Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion
Addicoat, M., Adjiman, C. S., Arhangelskis, M., Beran, G. J. O., Bowskill, D., Brandenburg, J. G., Braun, D. E., Burger, V., Cole, J., Cruz-Cabeza, A. J., Day, G. M., Deringer, V. L., Guo, R., Hare, A., Helfferich, J., Hoja, J., Iuzzolino, L., Jobbins, S., Marom, N. & McKay, D. & 21 others, Mitchell, J. B. O., Mohamed, S., Neumann, M., Lill, S. N., Nyman, J., Oganov, A. R., Piaggi, P., Price, S. L., Reutzel-Edens, S., Rietveld, I., Ruggiero, M., Ryder, M. R., Sastre, G., Schön, J. C., Taylor, C., Tkatchenko, A., Tsuzuki, S., van den Ende, J., Woodley, S. M., Woollam, G. & Zhu, Q., 10 Oct 2018, In: Faraday Discussions. 211, p. 325-381
Research output: Contribution to journal › Comment/debate › peer-review

Cite this

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., ... Zhu, Q. (2018). Structure searching methods: general discussion. Faraday Discussions, 211, 133-180. https://doi.org/10.1039/C8FD90030B

@article{aa1e2ae22c414014a112721c74c4023a,

title = "Structure searching methods: general discussion",

author = "Matthew Addicoat and Adjiman, {Claire S.} and Mihails Arhangelskis and Beran, {Gregory J. O.} and Brandenburg, {Jan Gerit} and Braun, {Doris E.} and Virginia Burger and Asbjoern Burow and Christopher Collins and Andrew Cooper and Day, {Graeme M.} and Deringer, {Volker L.} and Dyer, {Matthew S} and Alan Hare and Jelfs, {Kim E.} and Julian Keupp and Stefanos Konstantinopoulos and Yi Li and Yanming Ma and Noa Marom and David McKay and Caroline Mellot-Draznieks and Sharmarke Mohamed and Marcus Neumann and {Nilsson Lill}, Sten and Jonas Nyman and Oganov, {Artem R.} and Price, {Sarah L.} and Susan Reutzel-Edens and Michael Ruggiero and German Sastre and Rochus Schmid and Julia Schmidt and Sch{\"o}n, {J. Christian} and Peter Spackman and Seiji Tsuzuki and Woodley, {Scott M.} and Shiyue Yang and Qiang Zhu",

year = "2018",

month = oct,

day = "11",

doi = "10.1039/C8FD90030B",

language = "English",

volume = "211",

pages = "133--180",

journal = "Faraday Discussions",

issn = "1359-6640",

publisher = "Royal Society of Chemistry",

}

Addicoat, M, Adjiman, CS, Arhangelskis, M, Beran, GJO, Brandenburg, JG, Braun, DE, Burger, V, Burow, A, Collins, C, Cooper, A, Day, GM, Deringer, VL, Dyer, MS, Hare, A, Jelfs, KE, Keupp, J, Konstantinopoulos, S, Li, Y, Ma, Y, Marom, N, McKay, D, Mellot-Draznieks, C, Mohamed, S, Neumann, M, Nilsson Lill, S, Nyman, J, Oganov, AR, Price, SL, Reutzel-Edens, S, Ruggiero, M, Sastre, G, Schmid, R, Schmidt, J, Schön, JC, Spackman, P, Tsuzuki, S, Woodley, SM, Yang, S & Zhu, Q 2018, 'Structure searching methods: general discussion', Faraday Discussions, vol. 211, pp. 133-180. https://doi.org/10.1039/C8FD90030B

TY - JOUR

T1 - Structure searching methods: general discussion

AU - Addicoat, Matthew

AU - Adjiman, Claire S.

AU - Arhangelskis, Mihails

AU - Beran, Gregory J. O.

AU - Brandenburg, Jan Gerit

AU - Braun, Doris E.

AU - Burger, Virginia

AU - Burow, Asbjoern

AU - Collins, Christopher

AU - Cooper, Andrew

AU - Day, Graeme M.

AU - Deringer, Volker L.

AU - Dyer, Matthew S

AU - Hare, Alan

AU - Jelfs, Kim E.

AU - Keupp, Julian

AU - Konstantinopoulos, Stefanos

AU - Li, Yi

AU - Ma, Yanming

AU - Marom, Noa

AU - McKay, David

AU - Mellot-Draznieks, Caroline

AU - Mohamed, Sharmarke

AU - Neumann, Marcus

AU - Nilsson Lill, Sten

AU - Nyman, Jonas

AU - Oganov, Artem R.

AU - Price, Sarah L.

AU - Reutzel-Edens, Susan

AU - Ruggiero, Michael

AU - Sastre, German

AU - Schmid, Rochus

AU - Schmidt, Julia

AU - Schön, J. Christian

AU - Spackman, Peter

AU - Tsuzuki, Seiji

AU - Woodley, Scott M.

AU - Yang, Shiyue

AU - Zhu, Qiang

PY - 2018/10/11

Y1 - 2018/10/11

U2 - 10.1039/C8FD90030B

DO - 10.1039/C8FD90030B

M3 - Comment/debate

SN - 1359-6640

VL - 211

SP - 133

EP - 180

JO - Faraday Discussions

JF - Faraday Discussions

ER -

Structure searching methods: general discussion

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Research output

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

Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion

Cite this