The seventh blind test of crystal structure prediction: structure ranking methods

Hunnisett, L.M.; Francia, N.; Nyman, J.; Abraham, N.S.; Aitipamula, S.; Alkhidir, T.; Almehairbi, M.; Anelli, A.; Anstine, D.M.; Anthony, J.E.; Arnold, J.E.; Bahrami, F.; Bellucci, M.A.; Beran, G.J.O.; Bhardwaj, R.M.; Bianco, R.; Bis, J.A.; Boese, A.D.; Bramley, J.; Braun, D.E.; Butler, P.W.V.; Cadden, J.; Carino, S.; Červinka, C.; Chan, E.J.; Chang, C.; Clarke, S.M.; Coles, S.J.; Cook, C.J.; Cooper, R.I.; Darden, T.; Day, G.M.; Deng, W.; Dietrich, H.; DiPasquale, A.; Dhokale, B.; van Eijck, B.P.; Elsegood, M.R.J.; Firaha, D.; Fu, W.; Fukuzawa, K.; Galanakis, N.; Goto, H.; Greenwell, C.; Guo, R.; Harter, J.; Helfferich, J.; Hoja, J.; Hone, J.; Hong, R.; Hušák, M.; Ikabata, Y.; Isayev, O.; Ishaque, O.; Jain, V.; Jin, Y.; Jing, A.; Johnson, E.R.; Jones, I.; Jose, K.V.J.; Kabova, E.A.; Keates, A.; Kelly, P.F.; Klimeš, J.; Kostková, V.; Li, H.; Lin, X.; List, A.; Liu, C.; Liu, Y.M.; Liu, Z.; Lončarić, I.; Lubach, J.W.; Ludík, J.; Marom, N.; Matsui, H.; Mattei, A.; Mayo, R.A.; Melkumov, J.W.; Mladineo, B.; Mohamed, S.; Momenzadeh Abardeh, Z.; Muddana, H.S.; Nakayama, N.; Nayal, K.S.; Neumann, M.A.; Nikhar, R.; Obata, S.; O'Connor, D.; Oganov, A.R.; Okuwaki, K.; Otero-de-la-Roza, A.; Parkin, S.; Parunov, A.; Podeszwa, R.; Price, A.J.A.; Price, L.S.; Price, S.L.; Probert, M.R.; Pulido, A.; Ramteke, G.R.; Rehman, A.U.; Reutzel-Edens, S.M.; Rogal, J.; Ross, M.J.; Rumson, A.F.; Sadiq, G.; Saeed, Z.M.; Salimi, A.; Sasikumar, K.; Sekharan, S.; Shankland, K.; Shi, B.; Shi, X.; Shinohara, K.; Skillman, A.G.; Song, H.; Strasser, N.; van de Streek, J.; Sugden, I.J.; Sun, G.; Szalewicz, K.; Tan, L.; Tang, K.; Tarczynski, F.; Taylor, C.R.; Tkatchenko, A.; Tom, R.; Touš, P.; Tuckerman, M.E.; Unzueta, P.A.; Utsumi, Y.; Vogt-Maranto, L.; Weatherston, J.; Wilkinson, L.J.; Willacy, R.D.; Wojtas, L.; Woollam, G.R.; Yang, Y.; Yang, Z.; Yonemochi, E.; Yue, X.; Zeng, Q.; Zhou, T.; Zhou, Y.; Zubatyuk, R.; Cole, J.C.

doi:10.1107/S2052520624008679

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

IUCr IT WDC

home archive editors for authors for readers submit subscribe open access

view article

Figure 3
Examples of trans-square planar (left), cis-square planar (centre), and see-saw geometries of target XXVIII (right).

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 80| Part 6| December 2024| Pages 548-574

https://doi.org/10.1107/S2052520624008679

Open

access

Follow Acta Cryst. B

Search IUCr Journals		doi		Advanced search
Author		volume	page

Copyright © International Union of Crystallography
Home Contact us Site index About us Partners and site credits Help Terms of use Privacy and cookies

The IUCr is a scientific union serving the interests of crystallographers and other scientists employing crystallographic methods.