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Research at St Andrews

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

Research output: Contribution to journalComment/debate

  1. 2018
  2. Methods and Applications of Crystal Structure Prediction

    John B. O. Mitchell (Participant)
    11 Jul 201813 Jul 2018

    Activity: Participating in or organising an event typesParticipation in or organising a conference

Related by author

  1. 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 othersMitchell, 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 journalComment/debate

  2. A picture of disorder in hydrous wadsleyite – under the combined microscope of solid-state NMR spectroscopy and ab initio random structure searching

    McKay, D., Moran, R. F., Dawson, D. M., Griffin, J. M., Sturniolo, S., Pickard, C. J., Berry, A. J. & Ashbrook, S. E., 20 Feb 2019, In : Journal of the American Chemical Society. 141, 7, p. 3024–3036

    Research output: Contribution to journalArticle

  3. 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 othersMcKay, 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 journalComment/debate

  4. Applications of crystal structure prediction – inorganic and network structures: general discussion

    Burger, V., Claeyssens, F., Davies, D. W., Day, G. M., Dyer, M. S., Hare, A., Li, Y., Mellot-draznieks, C., Mitchell, J. B. O., Mohamed, S., Oganov, A. R., Price, S. L., Ruggiero, M., Ryder, M. R., Sastre, G., Schön, J. C., Spackman, P., Woodley, S. M. & Zhu, Q., 9 Oct 2018, In : Faraday Discussions. 211, p. 613-642

    Research output: Contribution to journalComment/debate

  5. Hydrolytic stability in hemilabile metal–organic frameworks

    McHugh, L. N., McPherson, M. J., McCormick, L. J., Morris, S. A., Wheatley, P. S., Teat, S. J., McKay, D., Dawson, D. M., Sansome, C. E. F., Ashbrook, S. E., Stone, C. A., Smith, M. W. & Morris, R. E., 13 Aug 2018, In : Nature Chemistry. In press

    Research output: Contribution to journalArticle

Related by journal

  1. Applications of crystal structure prediction – inorganic and network structures: general discussion

    Burger, V., Claeyssens, F., Davies, D. W., Day, G. M., Dyer, M. S., Hare, A., Li, Y., Mellot-draznieks, C., Mitchell, J. B. O., Mohamed, S., Oganov, A. R., Price, S. L., Ruggiero, M., Ryder, M. R., Sastre, G., Schön, J. C., Spackman, P., Woodley, S. M. & Zhu, Q., 9 Oct 2018, In : Faraday Discussions. 211, p. 613-642

    Research output: Contribution to journalComment/debate

  2. 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 othersMitchell, 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 journalComment/debate

  3. 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 othersMcKay, 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 journalComment/debate

  4. Sequential nested assembly at the liquid/solid interface

    Karamzadeh, B., Eaton, T., Muñoz Torres, D., Cebula, I., Mayor, M. & Buck, M., 1 Oct 2017, In : Faraday Discussions. 204, p. 173-190 18 p.

    Research output: Contribution to journalArticle

ID: 256399070