Chemical Crystallography

  • Chemical Crystallography
  • People
    • Staff
    • PDRAs
    • D. Phil. Students
    • Part II Students
    • Visitors and Associates
  • Research
    • Experimental Techniques
      • Exploiting Synchrotron Radiation
      • The Boundary Between Diffuse Scattering and Modulation
      • Structures from Liquids
      • Solid State NMR
    • Refinement
      • Absolute Structure Determination
      • Crystallographic Computing
      • CRYSTALS
    • Understanding the Solid State
      • Chiral Discrimination
      • Crystallisation & Polymorphism
      • Phase Transitions in Higher Dimensions
      • Z’ > 1
    • Part II Research Projects
    • Publications
    • Conferences
  • Service
    • Instrumentation
    • Commercial Service
    • Structure of the Month
  • CRYSTALS
    • Download
    • Documentation
    • Licence and Copyright
    • Wiki
    • CCP14 tutorials
    • Mailing List
  • Resources
    • Teaching
    • Twins
    • Software
      • CCDC
        • Mogul
        • WebCSD
      • FPrime
      • ICSD
      • PASCal
      • PowDLL
    • Useful Citations
    • Other Links
  • Search
  • Contact

Welcome new Part II students

Sep 202017
 

CrystalsA big welcome to Chem Cryst to our new cohort of Part II students for 2017/18: Kiaora Tolmie, Lewis Morgan, Gwenno Jones, Han Xu, James Bird and Oli Bar! And welcome back to one of last year’s Part II students, George Sackman, as he starts his D.Phil. studies.

 Posted by Richard Cooper on September 20, 2017  News
  IUCr 2017   Crystals v6720
SMTK diffuse scattering solid state NMR machine learning structure-property correlations validation molecular dynamics ACA disorder BCA absolute configuration crystallisation DFT Diamond Light Source errors Structure of the Month neutrons CRYSTALS release hydrogen bonding Art space groups modulated structures toolkit Red Kite Network radiation damage polymorphism matchbOx teaching porphyrins sport MOFs Difficult Data Chiral Selection CRYSTALS Variable Temperature Outreach rotaxanes catenanes ISIS hydrogen host-guest complexes crystallographic computing phase transitions Friedel opposites modulation BIG STRUCTURES Barluenga's Reagent least squares refinement fluoride binding synchrotron

Research

  • Howard Flack and the Flack Parameter (D.J. Watkin & R.I. Cooper) Posted on: Sep 26th, 2020
  • Increasing the performance, trustworthiness and practical value of machine learning models: a case study predicting hydrogen bond network dimensionalities from molecular diagrams (A.P. Frade, P. McCabe & R.I. Cooper) Posted on: Mar 12th, 2020
  • A hexagonal planar transition-metal complex (M. Garçon, C. Bakewell, G. A. Sackman, A. J. P. White, R. I. Cooper, A. J. Edwards & M. R. Crimmin) Posted on: Oct 17th, 2019
  • Unexpected Behaviour in Derivatives of Barluenga's Reagent (L. C. F. Morgan, Y. Kim, J. N. Blandy, C. A. Murray, K. E. Christensen & A. L. Thompson) Posted on: Aug 30th, 2018
  • ECM31, Oviedo and ECA Crystallographic Computing School, Mieres Posted on: Aug 29th, 2018
  • An enhanced set of displacement parameter restraints in CRYSTALS (P. Parois, J. Arnold and R.I. Cooper) Posted on: Jun 24th, 2018
  • Prizes at the BCA Spring Meeting 2018 in Warwick Posted on: Apr 5th, 2018
  • Some Experimental Aspects of Absolute Configuration Determination using Single Crystal X-​Ray Diffraction (A. L. Thompson, S. F. Jenkinson & G. W. J. Fleet) Posted on: Nov 1st, 2017
  • HUG and SQUEEZE: using CRYSTALS to incorporate resonant-scattering in the SQUEEZE structure factor contributions to determine absolute structure (R.I. Cooper, H.D. Flack and D.J. Watkin) Posted on: Oct 23rd, 2017
  • IUCr 2017 Posted on: Sep 8th, 2017
  • Will They Co-crystallize? (J.G.P. Wicker, L.M. Crowley, O. Robshaw, E.J. Little, S. Stokes, R.I. Cooper and S.E. Lawrence) Posted on: Jul 6th, 2017
  • A publicly available crystallisation data set and its application in machine learning (M. Pillong, C. Marx, P. Piechon, J.G.P. Wicker, R.I. Cooper and T. Wagner) Posted on: Jun 20th, 2017
  • BCA Poster Prizes for Laura and James Posted on: Apr 20th, 2017
  • Beyond Rotatable Bond Counts: Capturing 3D Conformational Flexibility in a Single Descriptor (J.G.P. Wicker and R.I. Cooper) Posted on: Nov 24th, 2016
  • EMC6 - The 6th Moroccan School of Crystallography Posted on: Nov 22nd, 2016
  • Hydrogen-​Bonded Homoleptic Fluoride-​Diarylurea Complexes: Structure, Reactivity, and Coordinating Power (L. Pfeifer, K. M. Engle, G. W. Pidgeon, H. A. Sparkes, A. L. Thompson, J. M. Brown & V. Gouverneur) Posted on: Sep 23rd, 2016
  • Why direct and post-refinement determinations of absolute structure may give different results (D.J. Watkin and R.I. Cooper) Posted on: Sep 19th, 2016
  • Report on the sixth blind test of organic crystal structure prediction methods (A. M. Reilly, R. I. Cooper, C. S. Adjiman, S. Bhattacharya, A. D. Boese ... Posted on: Aug 2nd, 2016
  • 2016 British Crystallographic Association Meeting Posted on: Apr 8th, 2016
  • SCANZ 2016 Posted on: Apr 2nd, 2016

Subscribe

Read more

© 2021 Chemical Crystallography Suffusion theme by Sayontan Sinha