Results 1 to 10 of about 3,897,451 (259)

Chemical crystallography and crystal engineering [PDF]

open access: yesIUCrJ, 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
doaj   +7 more sources

Chemical crystallography by serial femtosecond X-ray diffraction. [PDF]

open access: hybridNature, 2022
Inorganic–organic hybrid materials represent a large share of newly reported structures, owing to their simple synthetic routes and customizable properties 1 .
Schriber EA   +26 more
europepmc   +6 more sources

Why is interoperability between the two fields of chemical crystallography and protein crystallography so difficult? [PDF]

open access: yesIUCrJ, 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
doaj   +3 more sources

Chemical Crystallography at the Advanced Light Source [PDF]

open access: goldCrystals, 2017
Chemical crystallography at synchrotrons was pioneered at the Daresbury SRS station 9.8. The chemical crystallography beamlines at the Advanced Light Source seek to follow that example, with orders of magnitude more flux than a lab source, and various in
Laura J. McCormick   +3 more
doaj   +3 more sources

Structure validation in chemical crystallography. [PDF]

open access: yesActa 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.
europepmc   +6 more sources

New opportunities in biological and chemical crystallography [PDF]

open access: bronzeJournal of Synchrotron Radiation, 2001
Banerjee [Proc. R. Soc. (1933), 141, 188-193] offered a new way of approaching the crystallographic phase problem which not only broke new ground beyond the 'trial and error' structure solution method of that time but also heralded the extremely powerful direct methods of crystallography of the modern era from the 1970s onwards in chemical ...
John R. Helliwell
semanticscholar   +4 more sources

Automated Chemical Crystallography [PDF]

open access: yesJournal 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
openaire   +5 more sources

Focus on Quantum Crystallography [PDF]

open access: yesIUCrJ
This 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
doaj   +2 more sources

A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database

open access: yesJournal of Cheminformatics, 2023
Knowledge about the 3-dimensional structure, orientation and interaction of chemical compounds is important in many areas of science and technology.
Antanas Vaitkus   +6 more
doaj   +2 more sources

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