Search results
- 1.0585858 - FZÚ 2025 RIV GB eng J - Journal Article
Decato, D. - Palatinus, Lukáš - Stierle, A. - Stierle, D.
Absolute structure determination of Berkecoumarin by X-ray and electron diffraction.
Acta Crystallographica Section C-Structural Chemistry. Roč. 80, May (2024), s. 143-147. ISSN 2053-2296. E-ISSN 2053-2296
R&D Projects: GA ČR(CZ) GX21-05926X
Institutional support: RVO:68378271
Keywords : crystal structure * absolute structure determination * electron diffraction * microED * dynamical refinement * berkecoumarin * chromenone * coumarin * natural product
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 0.8, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0353507File Download Size Commentary Version Access 0585858.pdf 0 1.7 MB CC Licence Publisher’s postprint open-access - 2.0585800 - FZÚ 2025 RIV US eng J - Journal Article
Steciuk, Gwladys - Majzlan, J. - Rohlíček, Jan - Škoda, R. - Sejkora, J. - Plášil, Jakub
Znucalite, the only known zinc uranyl carbonate: Its crystal structure and environmental implications.
American Mineralogist. Roč. 109, č. 5 (2024), s. 949-959. ISSN 0003-004X. E-ISSN 1945-3027
R&D Projects: GA ČR(CZ) GA20-11949S; GA MŠMT LM2023051; GA ČR(CZ) GX21-05926X
Institutional support: RVO:68378271
Keywords : znucalite * uranyl carbonate * crystal structure * 3D electron diffraction * Rietveld refinement * conditions of formation * uranium immobilization
OECD category: Mineralogy
Impact factor: 3.1, year: 2022
Permanent Link: https://hdl.handle.net/11104/0353534 - 3.0585744 - FZÚ 2025 RIV GB eng J - Journal Article
Poppe, R. - Roth, N. - Neder, R.B. - Palatinus, Lukáš - Iversen, B. B. - Hadermann, J.
Refining short-range order parameters from the three-dimensional diffuse scattering in single-crystal electron diffraction data.
IUCrJ. Roč. 11, Jan (2024), s. 82-91. ISSN 2052-2525. E-ISSN 2052-2525
Institutional support: RVO:68378271
Keywords : 3D electron diffraction * 3DED * single-crystal diffuse scattering * 3D difference pair distribution functions * 3D-ΔPDF
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.9, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0353454File Download Size Commentary Version Access 0585744.pdf 0 985.4 KB CC Licence Publisher’s postprint open-access - 4.0585739 - FZÚ 2025 RIV GB eng J - Journal Article
Gurung, Kshitij - Šimek, Petr - Jegorov, Alexandr - Palatinus, Lukáš
Structure and absolute configuration of natural fungal product beauveriolide I, isolated from Cordyceps javanica, determined by 3D electron diffraction.
Acta Crystallographica Section C-Structural Chemistry. Roč. 80, Mar (2024), s. 56-61. ISSN 2053-2296. E-ISSN 2053-2296
R&D Projects: GA ČR(CZ) GX21-05926X; GA MŠMT LM2023051; GA TA ČR(CZ) SS01020450
Institutional support: RVO:68378271 ; RVO:60077344
Keywords : crystal structure * natural product * 3D electron diffraction * absolute structure * alzheimer’s disease
OECD category: Condensed matter physics (including formerly solid state physics, supercond.); Biochemistry and molecular biology (BC-A)
Impact factor: 0.8, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0353439File Download Size Commentary Version Access 0585739.pdf 0 2.5 MB CC Licence Publisher’s postprint open-access - 5.0585125 - FZÚ 2025 RIV GB eng J - Journal Article
Mathew, R. - Mazumder, A. - Kumar, P. - Matula, J. - Mohamed, S. - Brázda, Petr - Hariharan, M. - Thomas, B.
Unveiling the topology of partially disordered micro-crystalline nitro-perylenediimide with X-aggregate stacking: an integrated approach.
Chemical Science. Roč. 15, č. 2 (2024), s. 490-499. ISSN 2041-6520. E-ISSN 2041-6539
R&D Projects: GA ČR(CZ) GX21-05926X; GA MŠMT(CZ) EF16_019/0000760
Grant - others:OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
Research Infrastructure: CzechNanoLab - 90110; CzechNanoLab II - 90251
Institutional support: RVO:68378271
Keywords : organic molecules * nitro-perylenediimide * solid-state DMR * 3D electron diffraction
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 8.4, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0352858File Download Size Commentary Version Access 0585125.pdf 0 2.7 MB CC Licence Publisher’s postprint open-access - 6.0579459 - ÚMCH 2024 RIV CZ eng L4 - Software
Šlouf, Miroslav - Krzyžánek, Vladislav
Program package STEMDIFF.
Internal code: STEMDIFF ; 2023
Technical parameters: Programový balík STEMDIFF je doplněk programového vybavení rastrovacích elektronových mikroskopů (SEM) zaměřený na zpracování 4D-STEM dat. Je distribuován jako standardizovaný rozšiřující balík s otevřeným zdrojovým kódem ve volně šiřitelném programovacím jazyce Python. Kompletní technický popis výsledku je uveden přímo na oficiálních www-stránkách balíku (Python Package Index, https://pypi.org/project/stemdiff). WWW-stránky obsahují mj. stručný popis programu, pokyny pro instalaci a odkazy na další volně stažitelné materiály (ukázkové příklady včetně testovacích dat, podrobnější dokumentaci i detailní popis jednotlivých funkcí). Vše s dodržením obvyklých standardů, takže každý uživatel elektronového mikroskopu si může balík stáhnout a okamžitě použít.
Economic parameters: Programový balík STEMDIFF rozšiřuje možnosti rastrovacích elektronových mikroskopů. Umožňuje rychlejší a efektivnější zpracování dat získaných ze SEM mikroskopů vybavených nově zaváděnými pixelovanými detektory procházejících elektronů (pixelated STEM detectors). STEMDIFF převádí naměřené komplexní čtyřrozměrné datasety (4D-STEM-in-SEM datasets) na podstatně jednodušší, běžné, dvojrozměrné práškové difraktogramy (2D powder electron diffraction patterns), které bylo doposud možno získat jen z TEM. Tím podstatně rozšiřuje možnosti SEM mikroskopie a zpřístupňuje zpracování difrakčních dat mnohem širšímu okruhu uživatelů.
R&D Projects: GA TA ČR(CZ) TN02000020
Institutional support: RVO:61389013 ; RVO:68081731
Keywords : 4D-STEM-in-SEM * 4D-STEM/PNBD method * powder electron diffraction in SEM
OECD category: Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8); Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8) (UPT-D)
https://pypi.org/project/stemdiff/
Permanent Link: https://hdl.handle.net/11104/0348328 - 7.0575640 - FZÚ 2024 RIV GB eng J - Journal Article
Khouchen, Malak - Klar, P.B. - Chintakindi, Hrushikesh - Suresh, Ashwin - Palatinus, Lukáš
Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data.
Acta Crystallographica Section A. Roč. 79, Sep (2023), s. 427-439. ISSN 0108-7673. E-ISSN 2053-2733
R&D Projects: GA ČR(CZ) GX21-05926X; GA MŠMT LM2023051
EU Projects: European Commission(XE) 956099 - NanED
Institutional support: RVO:68378271
Keywords : error modelling * error analysis * data reduction * electron diffraction
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 1.8, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0345390File Download Size Commentary Version Access 0575640.pdf 0 1.5 MB CC Licence Publisher’s postprint open-access - 8.0573741 - FZÚ 2024 RIV US eng J - Journal Article
Klar, Paul Benjamin - Krysiak, Yaşar - Xu, H. - Steciuk, Gwladys - Cho, J. - Zou, X. - Palatinus, Lukáš
Accurate structure models and absolute configuration determination using dynamical effects in continuous-rotation 3D electron diffraction data.
Nature Chemistry. Roč. 15, č. 6 (2023), s. 848-855. ISSN 1755-4330. E-ISSN 1755-4349
R&D Projects: GA MŠMT LM2018110; GA MŠMT(CZ) EF16_019/0000760; GA ČR GA19-08032S; GA ČR(CZ) GX21-05926X
Grant - others:OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
Institutional support: RVO:68378271
Keywords : 3D electron diffraction * crystal structure * dynamical diffraction effects
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 21.8, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0344125File Download Size Commentary Version Access 0573741.pdf 0 2.8 MB CC licence Publisher’s postprint open-access - 9.0565635 - FZÚ 2023 RIV GB eng J - Journal Article
Brázda, Petr - Klementová, Mariana - Krysiak, Yaşar - Palatinus, Lukáš
Accurate lattice parameters from 3D electron diffraction data. I. Optical distortions.
IUCrJ. Roč. 9, č. 6 (2022), s. 735-755. ISSN 2052-2525. E-ISSN 2052-2525
R&D Projects: GA MŠMT LM2018110; GA MŠMT(CZ) EF16_019/0000760; GA ČR GA19-08032S
Grant - others:OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
Institutional support: RVO:68378271
Keywords : 3D electron diffraction * distortions * lattice parameters * parabolic distortion * precession electron diffraction
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.9, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0337154File Download Size Commentary Version Access 0565635.pdf 0 1.7 MB CC Licence Publisher’s postprint open-access - 10.0563223 - FZÚ 2023 RIV GB eng J - Journal Article
Sejkora, J. - Steciuk, Gwladys - Marquez-Zavalia, M.F. - Plášil, Jakub - Dolníček, Z.
Grandviewite redefinition, new formula Cu3Al2(SO4)(OH)10·H2O, and crystal-structure determination.
Mineralogical Magazine. Roč. 86, č. 5 (2022), s. 730-742. ISSN 0026-461X. E-ISSN 1471-8022
Institutional support: RVO:68378271
Keywords : grandviewite * redefinition * Raman and infrared spectroscopy * 3D electron diffraction * crystal structure * Capillitas mine * Argentina
OECD category: Mineralogy
Impact factor: 2.7, year: 2022
Method of publishing: Limited access
https://doi.org/10.1180/mgm.2022.59
Permanent Link: https://hdl.handle.net/11104/0335259