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The Future of Dynamic Structural Science

  • Conference proceedings
  • © 2014

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Editors:
  1. Judith A.K. Howard

    1. Department of Chemistry, Durham University, Durham, United Kingdom

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  2. Hazel A. Sparkes

    1. School of Chemistry, University of Bristol, Bristol, United Kingdom

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  3. Paul R. Raithby

    1. Department of Chemistry, University of Bath, United Kingdom

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  4. Andrei V. Churakov

    1. N.S. Kurnakov Institute of General and Inorganic Chemistry Russian Academy of Sciences, Moscow, Russia

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Table of contents (19 papers)

  1. Front Matter

    Pages i-xvi
    Download chapter PDF

  2. Single Crystal and Powder Methods for Structure Determination of Metastable Species

    • Paul R. Raithby
    Pages 1-12

  3. Raman Crystallography, the Missing Link Between Biochemical Reactions and Crystallography

    • Paul Carey
    Pages 13-24

  4. Structure and Dynamics from Time Resolved Absorption and Raman Spectroscopy

    • Siva Umapathy, Khokan Roy, Surajit Kayal, Nilesh Rai, Ravi Kumar Venkatraman
    Pages 25-41

  5. Time and Space-Resolved Spectroscopy

    • Kenneth P. Ghiggino
    Pages 43-54

  6. Dynamic X-Ray and Neutron Scattering: From Materials Synthesis and In-Situ Studies to Biology at High Pressure

    • Paul F. McMillan, Filip Meersman, Fabriza Foglia, Paul Barnes, Simon D. M. Jacques, Richard Briggs
    Pages 55-76

  7. Dynamics of Mechanochemical Processes

    • Elena V. Boldyreva
    Pages 77-89

  8. Measuring and Understanding Ultrafast Phenomena Using X-Rays

    • Kristoffer Haldrup, Martin Meedom Nielsen
    Pages 91-113

  9. Single-Crystal to Single-Crystal Solid-State Photochemistry

    • Menahem Kaftory
    Pages 115-128

  10. Concepts of Structural Dynamics Investigations Chemical Research

    • Simone Techert
    Pages 129-139

  11. Structure and Dynamics of Light-Excited States

    • Eric Collet
    Pages 141-156

  12. Direct Observation of Various Reaction Pathways in Crystalline State Photoreactions

    • Yuji Ohashi
    Pages 157-169

  13. Time-Resolved XAS Spectroscopy Probing Dynamic Species in Homogeneous Catalysis – Towards Faster Methods Providing More Information

    • Moniek Tromp
    Pages 171-188

  14. Dynamical Aspects of Biomacromolecular Multi-resolution Modelling Using the UltraScan Solution Modeler (US-SOMO) Suite

    • Mattia Rocco, Emre Brookes
    Pages 189-199

  15. Linking Diffraction, XAFS and Spectroscopic Studies on Short Lived Species

    • Paul R. Raithby
    Pages 201-211

  16. Structure Analyses of Unstable Reaction Intermediates Using the Technique of Acid-Base Complex or Polymorphic Crystal Formation

    • Yuji Ohashi
    Pages 213-224

  17. Molecular Mechanisms of Light-Harvesting and Photo-Protection by Carotenoids Explaining Configurational Selections by Antenna and Reaction Centre Complexes

    • Yasushi Koyama, Yoshinori Kakitani
    Pages 225-236

  18. Time-Resolved Macromolecular Crystallography in Practice at BioCARS, Advanced Photon Source: From Data Collection to Structures of Intermediates

    • Vukica Šrajer
    Pages 237-251

  19. Combining Single Crystal UV/Vis Spectroscopy and Diffraction to Structurally Characterise Intermediates and Monitor Radiation Damage

    • Anna Polyakova, Arwen R. Pearson
    Pages 253-259

  20. Molecular Dynamics Probed by Short X-ray Pulses from a Synchrotron

    • Michael Wulff, Qingyu Kong, Jae Hyuk Lee, Tae Kyu Kim, Marco Cammarata, Dmitry Khakhulin et al.
    Pages 261-284
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Keywords

About this book

This work  focuses on complementary crystallographic and spectroscopic areas of dynamic structural science, from papers presented at the 46th NATO sponsored course in Erice, Sicily 2013. These papers cover a range of material from background concepts to more advanced material and represent a fully inter-disciplinary collection of the latest ideas and results within the field. They will appeal to practising or novice crystallographers, both chemical and biological, who wish to learn more about modern spectroscopic methods and convergent advances and hence vice versa for experimental and computational spectroscopists. The chapters refer to the latest techniques, software and results and each chapter is fully referenced. The volume provides an excellent starting point for new comers in the emerging, multi-disciplinary area of time resolved science.

Reviews

“The goal of the course was to explore links between dynamic structural science and energy, the environmental security and chemical-biological-radiological-nuclear (CRBN) agents. … the book can serve as a jumping off point for scientists new to the area of dynamic structural science, or as a tool for more senior scientists to quickly catch up in an arena of rapidly changing capabilities in the exciting area of structural dynamics.” (George N. Phillips Jr., Crystallography Reviews, Vol. 21 (4), 2015)

Editors and Affiliations

  • Department of Chemistry, Durham University, Durham, United Kingdom

    Judith A.K. Howard

  • School of Chemistry, University of Bristol, Bristol, United Kingdom

    Hazel A. Sparkes

  • Department of Chemistry, University of Bath, United Kingdom

    Paul R. Raithby

  • N.S. Kurnakov Institute of General and Inorganic Chemistry Russian Academy of Sciences, Moscow, Russia

    Andrei V. Churakov

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