The partial dehydrogenation of aluminium dihydrides (2019) T.N. Hooper, S. Lau, W. Chen, R.K. Brown, M. Garçon, K. Luong, N.S. Barrow, A.S. Tatton, G.A. Sackman, C. Richardson, A.J.P. White, R.I. Cooper, A.J. Edwards, I.J. Casely and M.R. Crimmin, Chemical Science, DOI: 10.1039/c9sc02750e
An enhanced set of displacement parameter restraints in CRYSTALS (2018) P. Parois, J. Arnold, R. I. Cooper, J. Appl. Cryst. 51
HUG and SQUEEZE: using CRYSTALS to incorporate resonant-scattering in the SQUEEZE structure factor contributions to determine absolute structure (2017) R.I. Cooper, H.D. Flack and D.J. Watkin, Acta Crystallographica, C73, 845–853
Will They Co-crystallize? (2017) J.G.P. Wicker, L.M. Crowley, O. Robshaw, E.J. Little, S. Stokes, R.I. Cooper and S.E. Lawrence, CrystEngComm, 2017, 19, 5336 – 5340
A publicly available crystallisation data set and its application in machine learning (2017) M. Pillong, C. Marx, P. Piechon, J. G. P. Wicker, R. I. Cooper and T. Wagner, CrystEngComm, 19, 3737-3745
Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor (2016) J.G.P. Wicker and R.I. Cooper, J. Chem. Inf. Model., 56 (12), 2347–2352
Why direct and post-refinement determinations of absolute structure may give different results (2016) D.J. Watkin and R.I. Cooper Acta. Cryst. B72.
Report on the sixth blind test of organic crystal structure prediction methods (2016) A. M. Reilly, R. I. Cooper, C. S. Adjiman, S. Bhattacharya, A. D. Boese, J. G. Brandenburg, P. J. Bygrave, R. Bylsma, J. E. Campbell, R. Car, D. H. Case, R. Chadha, J. C. Cole, K. Cosburn, H. M. Cuppen, F. Curtis, G. M. Day, R. A. DiStasio Jr, A. Dzyabchenko, B. P. van Eijck, D. M. Elking, J. A. van den Ende, J. C. Facelli, M. B. Ferraro, L. Fusti-Molnar, C.-A. Gatsiou, T. S. Gee, R. de Gelder, L. M. Ghiringhelli, H. Goto, S. Grimme, R. Guo, D. W. M. Hofmann, J. Hoja, R. K. Hylton, L. Iuzzolino, W. Jankiewicz, D. T. de Jong, J. Kendrick, N. J. J. de Klerk, H.-Y. Ko, L. N. Kuleshova, X. Li, S. Lohani, F. J. J. Leusen, A. M. Lund, J. Lv, Y. Ma, N. Marom, A. E. Masunov, P. McCabe, D. P. McMahon, H. Meekes, M. P. Metz, A. J. Misquitta, S. Mohamed, B. Monserrat, R. J. Needs, M. A. Neumann, J. Nyman, S. Obata, H. Oberhofer, A. R. Oganov, A. M. Orendt, G. I. Pagola, C. C. Pantelides, C. J. Pickard, R. Podeszwa, L. S. Price, S. L. Price, A. Pulido, M. G. Read, K. Reuter, E. Schneider, C. Schober, G. P. Shields, P. Singh, I. J. Sugden, K. Szalewicz, C. R. Taylor, A. Tkatchenko, M. E. Tuckerman, F. Vacarro, M. Vasileiadis, A. Vazquez-Mayagoitia, L. Vogt, Y. Wang, R. E. Watson, G. A. de Wijs, J. Yang, Q. Zhu and C. R. Groom Acta. Cryst. B 72(4), 439-459.
Absolute structure determination using CRYSTALS (2016) R.I. Cooper, D.J. Watkin and H.D. Flack Acta. Cryst. C72, 261-267.
Crystal structures of increasingly large molecules: meeting the challenges with CRYSTALS software (2015) P. Parois, R.I. Cooper & A.L. Thompson Chemistry Central Journal 2015, 9:30
Will it crystallise? Predicting crystallinity of molecular materials (2015) J.G.P. Wicker and R.I. Cooper CrystEngComm 17, 1927-1934.
DetOx: A Program for Determining Anomalous Scattering Factors of Mixed-Oxidation-State Species (2013) K.J. Sutton, S.A. Barnett, K.E. Christensen, H. Nowell, A.L. Thompson, D.R. Allan and R.I. Cooper J. Sync. Rad. 20, 200–204.
CRYSTALS Enhancements: Asymmetric Restraints (2012) R. I. Cooper, A. Thorn and D. J. Watkin J. Appl. Cryst., 45, 1057–1060.
Applications of Leverage Analysis in Structure Refinement (2012) S. Parsons, T. Wagner, O. Presly, P. A. Wood and R. I. Cooper J Appl. Cryst., 45, 417-429.
CRYSTALS enhancements: dealing with hydrogen atoms in refinement (2010) R. I. Cooper, A. L. Thompson and D. J. Watkin J. Appl. Cryst. 43, 1100-1107.
ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics (2010) M. S. Armstrong, G. M. Morris, P. W. Finn, R. Sharma, L. Moretti, R. I. Cooper and W. G. Richards. Journal of Computer-Aided Molecular Design 24(9), 789-801.
Structure matching: measures of similarity and pseudosymmetry (2006) A. Collins, R. I. Cooper & D. J. Watkin. J. Appl. Cryst. 39, 842-849.
Retrieval of Crystallographically-Derived Molecular Geometry Information (2004) I. J. Bruno, J. C. Cole, M. Kessler, J. Luo, W. D. S. Motherwell, L. H. Purkis, B. R. Smith, R. Taylor, R. I. Cooper, S. E. Harris and A. G. Orpen (2004). J. Chem. Inf. Comput. Sci., 44(6), 2133–2144.
Refinement of the structure of β-U4O9 (2004) R. I. Cooper & B. T. M. Willis. Acta Cryst. A60, 322-325.
CRYSTALS Enhancements: Refinement of Atoms Continuously Disordered Along a Line, on a Ring or on the Surface of a Sphere (2004) L. Schröder, D. J. Watkin, A. Cousson, R. I. Cooper and W. Paulus. J. Appl. Cryst., 37, 545-550.
CRYSTALS version 12: software for guided crystal structure analysis (2003) P. W. Betteridge, J. R. Carruthers, R. I. Cooper, K. Prout and D. J. Watkin, Journal of Applied Crystallography, 36, 1487.
The derivation of non-merohedral twin laws during refinement by analysis of poorly fitting intensity data and the refinement of non-merohedrally twinned crystal structures in the program CRYSTALS. (2002) R. I. Cooper, R. O. Gould, S. Parsons & D. J. Watkin. J. Appl. Cryst. 35, 168-174.