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Chemical crystallography and crystal engineering [PDF]
IUCrJ, 2014 Today, there is very little doubt that chemistry owes as much to crystallography as crystallography does to chemistry. This mutual synergy defines modern chemical crystallography.
Gautam R. Desiraju
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Why is interoperability between the two fields of chemical crystallography and protein crystallography so difficult? [PDF]
IUCrJ, 2019 The interoperability of chemical and biological crystallographic data is a key challenge to research and its application to pharmaceutical design. Research attempting to combine data from the two disciplines, small-molecule or chemical crystallography ...
Alice Brink, John R. Helliwell
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Focus on Quantum Crystallography [PDF]
IUCrJThis editorial introduces the `Focus on Quantum Crystallography' collection, coinciding with the centenary of quantum mechanics and highlighting the convergence of crystallography and quantum theory.
Paulina M. Dominiak +2 more
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Structure validation in chemical crystallography. [PDF]
Acta Crystallogr D Biol Crystallogr, 2009 Automated structure validation was introduced in chemical crystallography about 12 years ago as a tool to assist practitioners with the exponential growth in crystal structure analyses. Validation has since evolved into an easy-to-use checkCIF/PLATON web-based IUCr service.
Spek AL.
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Practical aspects of teaching a graduate-level small-molecule chemical crystallography course [PDF]
Acta Crystallographica Section E: Crystallographic CommunicationsWe present the practical curriculum of the graduate Chemical Crystallography course in the Department of Chemistry of the University of Wisconsin–Madison, outlining our favorite resources, texts, and software.
John F. Berry, Ilia A. Guzei
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Automated Chemical Crystallography [PDF]
Journal of the American Chemical Society, 2010 The first fully automated small-molecule robotic X-ray diffractometer is described. After demonstrating the utility of the instrument using multiple samples of ammonium bitartrate, we investigated the conformational chirality of diphenyl dichalcogenide (E(2)Ph(2), where E = S, Se, or Te).
Fuller, Amy +5 more
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Medical Sciences Forum, 2022 The modification of capsule shells with synthesized magnetic iron oxide nanoparticles aims not only to control the localization of capsules, but also to tune their permeability. The application of a super low frequency non-heating magnetic field (100 Hz)
Ivan Burmistrov +6 more
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Radiation Damage in Chemical Crystallography [PDF]
Acta Crystallographica Section A Foundations and Advances, 2014 Although crystals suffering radiation damage is a well-known and studied phenomena for macromolecular crystallography[1], as far as we are aware there appears to be no such published work relating to chemical crystallography. However, there are numerous anecdotal accounts of disintegrating crystals and resolution progressively dropping off that have ...
Horton, Peter N. +4 more
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Photosynthesis-based biosensors for environmental analysis of herbicides
Case Studies in Chemical and Environmental Engineering, 2021 It is generally agreed that photosynthetic organisms demonstrated their potential for the development of highly sensitive, sustainable, and affordable biosensors to detect toxic chemicals in aquatic ecosystems, being a primary target for most toxic ...
Amina Antonacci +3 more
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Graph isomorphism-based algorithm for cross-checking chemical and crystallographic descriptions
Journal of Cheminformatics, 2023 Published reports of chemical compounds often contain multiple machine-readable descriptions which may supplement each other in order to yield coherent and complete chemical representations.
Andrius Merkys +5 more
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