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Published in 2019 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2019.109077
Abstract: Abstract This article reports a newly discovered crystal structure of LiBeF3 from approximately 700 candidate structures by means of high-throughput DFT (Density Functional Theory) screening. The lowest-energy structure is monoclinic with the P2/c symmetry and…
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Keywords:
libef3 thermodynamic;
structure;
crystal structure;
structure libef3 ... See more keywords
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Published in 2019 at "Acta crystallographica. Section C, Structural chemistry"
DOI: 10.1107/s2053229619006533
Abstract: Dexketoprofen [(2S)-2-(3-benzoylphenyl)propanoic acid], C16H14O3, is the S-enantiomer of ketoprofen, a nonsteroidal anti-inflammatory drug (NSAID) that has analgesic, antipyretic and anti-inflammatory properties, and finds applications for the short-term treatment of mild to moderate pain. A new…
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Keywords:
dxkp;
crystal form;
dexketoprofen;
new crystal ... See more keywords
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Published in 2021 at "Jetp Letters"
DOI: 10.1134/s002136402104007x
Abstract: In view of the successful experience in the generation of pion and kaon secondary beams using a focusing crystal, it has been proposed to build at the U-70 accelerator a new-type channel of secondary particles…
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Keywords:
devices use;
crystal devices;
use accelerator;
new crystal ... See more keywords
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Published in 2020 at "Molecules"
DOI: 10.3390/molecules25184288
Abstract: A co-crystal of rosiglitazone (Rsg) with berberine (Bbr), Rsg-Bbr, was prepared by the solvent evaporation method and characterized. The results showed that the electrostatic attraction existed between the nitrogen anion of rosiglitazone and the quaternary…
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Keywords:
medicine;
crystal synthetic;
rosiglitazone;
synthetic drug ... See more keywords