Accurate structure models and absolute configuration determination using dynamical effects in continuous-rotation 3D electron diffraction data
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F23%3A00573741" target="_blank" >RIV/68378271:_____/23:00573741 - isvavai.cz</a>
Result on the web
<a href="https://hdl.handle.net/11104/0344125" target="_blank" >https://hdl.handle.net/11104/0344125</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1038/s41557-023-01186-1" target="_blank" >10.1038/s41557-023-01186-1</a>
Alternative languages
Result language
angličtina
Original language name
Accurate structure models and absolute configuration determination using dynamical effects in continuous-rotation 3D electron diffraction data
Original language description
Continuous-rotation 3D electron diffraction methods are increasingly popular for the structure analysis of very small organic molecular crystals and crystalline inorganic materials. Dynamical diffraction effects cause non-linear deviations from kinematical intensities that present issues in structure analysis. Here, a method for structure analysis of continuous-rotation 3D electron diffraction data is presented that takes multiple scattering effects into account. Dynamical and kinematical refinements of 12 compounds—ranging from small organic compounds to metal–organic frameworks to inorganic materials—are compared, for which the new approach yields significantly improved models in terms of accuracy and reliability with up to fourfold reduction of the noise level in difference Fourier maps.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Nature Chemistry
ISSN
1755-4330
e-ISSN
1755-4349
Volume of the periodical
15
Issue of the periodical within the volume
6
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
848-855
UT code for WoS article
000975909300001
EID of the result in the Scopus database
2-s2.0-85153297920