Search results
- 1.0573799 - FZÚ 2024 RIV GB eng J - Journal Article
Shankar, M.G. - Kumaravel, R. - Subashini, A. - Ramamurthi, K. - Kučeráková, Monika - Dušek, Michal - Stoeckli-Evans, H.
Syntheses, crystal structures, Hirshfeld surface analyses and energy frameworks of two 4-aminoantipyrine Schiff base compounds: (E)-4-{[4-(diethylamino)benzylidene]amino}-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one and (E)-4-[(4-fluorobenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.
Acta Crystallographica Section E-Crystallographic Communications. Roč. 79, č. 6 (2023), s. 538-544. ISSN 2056-9890. E-ISSN 2056-9890
R&D Projects: GA MŠMT LM2018110
Institutional support: RVO:68378271
Keywords : crystal structure * 4-aminoantipyrine * Hirshfeld surface analysis
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 0.9, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0344158File Download Size Commentary Version Access 0573799.pdf 0 1.2 MB CC Licence Publisher’s postprint open-access - 2.0572303 - ÚFCH JH 2024 RIV NL eng J - Journal Article
Haroon, M. - Baig, Mirza Wasif - Akhtar, T. - Tahir, M.N. - Ashfaq, M.
Relativistic two-component time dependent density functional studies and Hirshfeld surface analysis of halogenated arylidenehydrazinylthiazole derivatives.
Journal of Molecular Structure. Roč. 1287, SEP 2023 (2023), č. článku 135692. ISSN 0022-2860. E-ISSN 1872-8014
Institutional support: RVO:61388955
Keywords : El-Sayed rule * Hirshfeld surface analysis (HSA) * sf-X2C-S-TD-DFT * Single crystal XRD * Spin–orbit couplings
OECD category: Physical chemistry
Impact factor: 3.8, year: 2022
Method of publishing: Limited access
Permanent Link: https://hdl.handle.net/11104/0343047File Download Size Commentary Version Access 0572303.pdf 0 7.8 MB Publisher’s postprint require - 3.0557446 - FZÚ 2023 RIV GB eng J - Journal Article
Goudarziafshar, H. - Yousefi, S. - Tyula, Y.A. - Dušek, Michal - Eigner, Václav
Template synthesis, DNA binding, antimicrobial activity, Hirshfeld surface analysis, and 1D helical supramolecular structure of a novel binuclear copper(II) Schiff base complex.
RSC Advances. Roč. 12, č. 22 (2022), s. 13580-13592. E-ISSN 2046-2069
R&D Projects: GA ČR(CZ) GA14-03276S
Institutional support: RVO:68378271
Keywords : template synthesis * DNA binding * antimicrobial activity * Hirshfeld surface analysis * Schiff base complex * crystal structure
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.9, year: 2022
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0331923File Download Size Commentary Version Access 0557446.pdf 0 1.3 MB CC Licence Publisher’s postprint open-access - 4.0552800 - ÚEB 2022 RIV NL eng J - Journal Article
Polo-Cuadrado, E. - Ferrer, Karoll - Osorio, E. - Brito, I. - Cisterna, J. - Gutiérrez, M.
Crystal structure, Hirshfeld surface analysis and DFT studies of N-(4-acetylphenyl)quinoline-3-carboxamide.
Journal of Molecular Structure. Roč. 1246, DEC 15 (2021), č. článku 131162. ISSN 0022-2860. E-ISSN 1872-8014
Institutional support: RVO:61389030
Keywords : Acetamide * Energy framework * Hirshfeld surface analysis * Quinoline * Single crystal X-ray
OECD category: Organic chemistry
Impact factor: 3.841, year: 2021
Method of publishing: Open access
http://doi.org/10.1016/j.molstruc.2021.131162
Permanent Link: http://hdl.handle.net/11104/0327893File Download Size Commentary Version Access 2021_Polo-Cuadrado_JOURNAL OF MOLECULAR STRUCTURE_131162.pdf 1 2.1 MB Other open-access - 5.0550031 - FZÚ 2023 RIV US eng J - Journal Article
Lesiak, B. - Zemek, Josef - Jiříček, Petr - Rezek, B. - Jozwik, A.
Effect of electron irradiation on polypropylene and polystyrene foils studied by pattern recognition methods on electron spectroscopy data.
Polymer-Plastics Technology and Materials. Roč. 61, č. 3 (2022), s. 251-262. ISSN 2574-0881. E-ISSN 2574-089X
Research Infrastructure: CzechNanoLab - 90110
Institutional support: RVO:68378271
Keywords : electron irradiation * material degradation * polypropylene * polystyrene * electron spectroscopy surface analysis * bond scission and cross-linking * hydrogen content
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 2.7, year: 2022
Method of publishing: Limited access
https://doi.org/10.1080/25740881.2021.1978487
Permanent Link: http://hdl.handle.net/11104/0330416 - 6.0545348 - FZÚ 2022 RIV US eng J - Journal Article
Zakaria, N.L. - Pourayoubi, M. - Toularoud, M. E. - Dušek, Michal - Skořepová, Eliška
Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides.
Acta Crystallographica Section C-Structural Chemistry. Roč. 77, Apr (2021), s. 186-196. ISSN 2053-2296. E-ISSN 2053-2296
R&D Projects: GA MŠMT(CZ) LO1603; GA ČR(CZ) GA18-10504S
EU Projects: European Commission(CZ) CZ.2.16/3.1.00/24510
Institutional support: RVO:68378271
Keywords : amidophosphoester * ahosphoric triamide * hydrogen bonding * crystal structure * NMR spectroscopy * diastereotopic groups * Hirshfeld surface analysis
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 1.184, year: 2021
Method of publishing: Limited access
https://doi.org/10.1107/S2053229621002047
Permanent Link: http://hdl.handle.net/11104/0322174 - 7.0544853 - ÚFM 2022 RIV GB eng J - Journal Article
Gosch, A. - Arbeiter, F. - Berer, M. - Vojtek, Tomáš - Hutař, Pavel - Pinter, G.
Fatigue characterization of polyethylene under mixed mode I/III conditions.
International Journal of Fatigue. Roč. 145, APR (2021), č. článku 106084. ISSN 0142-1123. E-ISSN 1879-3452
Institutional support: RVO:68081723
Keywords : Mixed Mode I/III fatigue loading * Polyethylene * Fracture surface analysis * Equivalent stress intensity factor * Polymer
OECD category: Materials engineering
Impact factor: 5.489, year: 2021
Method of publishing: Open access
https://www.sciencedirect.com/science/article/pii/S0142112320306162?via%3Dihub
Permanent Link: http://hdl.handle.net/11104/0321655 - 8.0542155 - ÚOCHB 2022 RIV NL eng J - Journal Article
Fábián, Balázs - Horvai, G. - Idrissi, A. - Jedlovszky, P.
Structure and single particle dynamics of the vapour-liquid interface of acetone-CO2 mixtures.
Journal of Molecular Liquids. Roč. 334, Jul 15 (2021), č. článku 116091. ISSN 0167-7322. E-ISSN 1873-3166
Institutional support: RVO:61388963
Keywords : acetone-CO2 mixtures * liquid-vapour interface * computer simulation * intrinsic surface analysis
OECD category: Physical chemistry
Impact factor: 6.633, year: 2021
Method of publishing: Limited access
https://doi.org/10.1016/j.molliq.2021.116091
Permanent Link: http://hdl.handle.net/11104/0319631 - 9.0541692 - FZÚ 2022 RIV NL eng J - Journal Article
El Bali, B. - Lachkar, M. - Direm, A. - Cetiner, E. - Sayin, K. - Dušek, Michal
Experimental and computational studies of di-μ-chlorido-bis[chlorido(1,10-phenanthroline-K2N,N')nickel(II)] NiCl2(H2O)(C12N2H8): Crystal structure, quantitative analysis of the intermolecular interactions and electronic properties.
Journal of Molecular Structure. Roč. 1227, Mar (2021), č. článku 129576. ISSN 0022-2860. E-ISSN 1872-8014
R&D Projects: GA ČR(CZ) GA18-10438S; GA MŠMT(CZ) LO1603
EU Projects: European Commission(CZ) CZ.2.16/3.1.00/24510
Institutional support: RVO:68378271
Keywords : Ni(II) complex * crystal structure * Hirshfeld surface analysis * MEP map * quantum chemical calculations
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.841, year: 2021
Method of publishing: Limited access
https://doi.org/10.1016/j.molstruc.2020.129576
Permanent Link: http://hdl.handle.net/11104/0319223 - 10.0541676 - FZÚ 2022 RIV US eng J - Journal Article
Sabbaghi, F. - As'habi, A. - Saneei, A. - Pourayoubi, M. - Salam, A.A.A. - Nečas, M. - Dušek, Michal - Kučeráková, Monika - Acharya, S.
Conformational analysis of two new organotin(IV) structures completed with a CSD survey.
Acta Crystallographica Section C-Structural Chemistry. Roč. 77, Feb (2021), s. 68-80. ISSN 2053-2296. E-ISSN 2053-2296
R&D Projects: GA ČR(CZ) GA18-10438S; GA MŠMT LM2018110
Institutional support: RVO:68378271
Keywords : organotin(IV) complex * phosphoric triamide * crystal structure * Cambridge Structural Database * conformational analysis * Hirshfeld surface analysis
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 1.184, year: 2021
Method of publishing: Limited access
https://doi.org/10.1107/S2053229620016502
Permanent Link: http://hdl.handle.net/11104/0319207