Search results

  1. 1.
    0543178 - FZÚ 2022 RIV GB eng J - Journal Article
    Taherzadeh, M. - Pourayoubi, M. - Alviri, B.V. - Bayraq, S.S. - Ariani, M. - Nečas, M. - Dušek, Michal - Eigner, Václav - Rudbari, H.A. - Bruno, G. - Percino, T.M. - Leyva-Ramírez, M.A. - Damodaran, K.
    Hydrogen-bond directionality and symmetry in [C(O)NH](N)2P(O)-based structures: a comparison between X-ray crystallography data and neutron-normalized values, and evaluation of reliability.
    Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials. Roč. 77, June (2021), s. 384-396. E-ISSN 2052-5206
    R&D Projects: GA MŠMT LM2018110; GA ČR(CZ) GA18-10504S
    Institutional support: RVO:68378271
    Keywords : phosphoric triamide * X-ray diffraction * neutron normalization * symmetry * Cambridge Structural Database * lone electron pair
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
    Impact factor: 2.684, year: 2021
    Method of publishing: Limited access
    https://doi.org/10.1107/S2052520621003371
    Permanent Link: http://hdl.handle.net/11104/0322250
     
     
  2. 2.
    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
     
     
  3. 3.
    0540579 - FZÚ 2021 RIV GB eng J - Journal Article
    Samoľová, Erika - Fábry, Jan
    Caesium propanoate monohydrate.
    Acta Crystallographica Section E-Crystallographic Communications. Roč. 76, Aug (2020), s. 1307-1310. ISSN 2056-9890. E-ISSN 2056-9890
    R&D Projects: GA MŠMT(CZ) LO1603
    Institutional support: RVO:68378271
    Keywords : hydrogen bonding * metal-organic compounds * Cambridge Structural Database * positional disorder * occupational disorder
    OECD category: Organic chemistry
    Method of publishing: Open access
    https://doi.org/10.1107/S2056989020009639
    Permanent Link: http://hdl.handle.net/11104/0318201
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    540579.pdf1465.4 KBPublisher’s postprintopen-access
     
     
  4. 4.
    0537643 - FZÚ 2021 RIV GB eng J - Journal Article
    Samoľová, Erika - Fábry, Jan
    Rerefinement of poly[di­aqua­bis­­(μ3-2-methyl­pro­pano­ato-κ4O:O,O′:O′)bis­­(μ3-2-methyl­propano­ato-κ3O:O:O)(μ2-2-methyl­propano­ato-κ3O:O,O′)(2-methyl­propano­ato-κ2O,O′)trilead(II)].
    IUCrData. Roč. 5, č. 10 (2020), s. 1-3, č. článku x201311. E-ISSN 2414-3146
    R&D Projects: GA MŠMT(CZ) LO1603
    Institutional support: RVO:68378271
    Keywords : crystal structure * hydrogen bonding * carboxylates * The Cambridge Structural Database
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
    Method of publishing: Open access
    Permanent Link: http://hdl.handle.net/11104/0315453
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    0537643.pdf2907 KBCC LicencePublisher’s postprintopen-access
     
     
  5. 5.
    0533606 - FZÚ 2021 RIV GB eng J - Journal Article
    Fábry, Jan - Samoľová, Erika
    Layered alkali propanoates M+(C2H5COO)- , M+ = Na+, K+, Rb+, Cs+.
    Acta Crystallographica Section E-Crystallographic Communications. Roč. 76, Sep (2020), s. 1508-1513. ISSN 2056-9890. E-ISSN 2056-9890
    R&D Projects: GA MŠMT(CZ) LO1603
    Institutional support: RVO:68378271
    Keywords : crystal structure * hydrogen bonding * carboxylates * The Cambridge Structural Database * positional disorder * occupational disorder
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
    Method of publishing: Open access
    Permanent Link: http://hdl.handle.net/11104/0311945
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    0533606.pdf0675.7 KBCC LicencePublisher’s postprintopen-access
     
     
  6. 6.
    0533517 - FZÚ 2021 RIV GB eng J - Journal Article
    Samoľová, Erika - Fábry, Jan
    Crystal structures of catena-poly[[μ-aqua-diaqua-(μ3-2-methylpropanoato-κ4O:O,O′:O′)calcium] 2-methylpropanoate dihydrate], catena-poly[[μ-aqua-diaqua(μ3-2-methylpropanoato-κ4O:O,O′:O′)strontium] 2-methylpropanoate dihydrate] and catena-poly[[μ-aqua-diaqua(μ3-2-methylpropanoato-κ4O:O,O′:O′)(calcium/strontium)] 2-methylpropanoate dihydrate].
    Acta Crystallographica Section E-Crystallographic Communications. Roč. 76, Oct (2020), s. 1684-1688. ISSN 2056-9890. E-ISSN 2056-9890
    R&D Projects: GA MŠMT(CZ) LO1603
    Institutional support: RVO:68378271
    Keywords : layered crystal structure * hydrogen bonding * carboxylates * The Cambridge Structural Database * solid solution
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
    Method of publishing: Open access
    Permanent Link: http://hdl.handle.net/11104/0311891
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    0533517.pdf0777.3 KBCC LicencePublisher’s postprintopen-access
     
     
  7. 7.
    0533514 - FZÚ 2021 RIV GB eng J - Journal Article
    Fábry, Jan - Samoľová, Erika
    Crystal structure of poly[μ-aqua-bis(μ3-2-methylpropanoato-κ4O:O,O':O')dipotassium].
    Acta Crystallographica Section E-Crystallographic Communications. Roč. 76, Oct (2020), s. 1669-1674. ISSN 2056-9890. E-ISSN 2056-9890
    R&D Projects: GA MŠMT(CZ) LO1603
    Institutional support: RVO:68378271
    Keywords : methylpropanoate * metal–organic framework compounds * Cambridge Structural Database * crystal structure
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
    Method of publishing: Open access
    Permanent Link: http://hdl.handle.net/11104/0311889
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    0533514.pdf0709 KBCC LicencePublisher’s postprintopen-access
     
     
  8. 8.
    0492505 - ÚFCH JH 2019 RIV DE eng J - Journal Article
    Bubrin, M. - Kvapilová, Hana - Fiedler, Jan - Ehret, F. - Záliš, Stanislav - Kaim, W.
    Hybrid alpha-Diimine/Bis(chalcogenoether) Ligands for Copper(I) an Copper(II) Complexes.
    Zeitschrift für anorganische und allgemeine Chemie. Roč. 644, č. 14 (2018), s. 661-670. ISSN 0044-2313. E-ISSN 1521-3749
    R&D Projects: GA MŠMT(CZ) LTC17052; GA ČR(CZ) GA18-09848S
    Institutional support: RVO:61388955
    Keywords : cambridge structural database * crystal-structures * coordination chemistry * systems * epr * proteins * spectroelectrochemistry * oxidation * energies * alcohols
    OECD category: Physical chemistry
    Impact factor: 1.337, year: 2018
    Method of publishing: Limited access
    Permanent Link: http://hdl.handle.net/11104/0286012
    FileDownloadSizeCommentaryVersionAccess
    0492505.pdf11.7 MBPublisher’s postprintrequire
     
     
  9. 9.
    0489321 - ÚOCHB 2019 RIV GB eng J - Journal Article
    Sedlák, Robert - Eyrilmez, Saltuk M. - Hobza, Pavel - Nachtigallová, Dana
    The role of the sigma-holes in stability of non-bonded chalcogenide···benzene interactions: the ground and excited states.
    Physical Chemistry Chemical Physics. Roč. 20, č. 1 (2018), s. 299-306. ISSN 1463-9076. E-ISSN 1463-9084
    R&D Projects: GA ČR(CZ) GA16-16959S
    Institutional support: RVO:61388963
    Keywords : Cambridge Structural Database * correlated molecular calculations * Gaussian basis sets
    OECD category: Physical chemistry
    Impact factor: 3.567, year: 2018
    Permanent Link: http://hdl.handle.net/11104/0283763
     
     
  10. 10.
    0466877 - FZÚ 2017 RIV US eng J - Journal Article
    Sabbaghi, F. - Pourayoubi, M. - Dušek, Michal - Eigner, Václav - Bayat, S. - Damodaran, K. - Nečas, M. - Kučeráková, Monika
    Analysis of P–O–C, P–S–C and P–O–P angles: a database survey completed with four new X-ray crystal structures.
    Structural Chemistry. Roč. 27, č. 6 (2016), s. 1831-1844. ISSN 1040-0400. E-ISSN 1572-9001
    R&D Projects: GA MŠMT LO1603
    EU Projects: European Commission(XE) CZ.2.16/3.1.00/24510
    Institutional support: RVO:68378271
    Keywords : Cambridge Structural Database (CSD) * crystal structure * analysis of bond angle * hybridization
    Subject RIV: CC - Organic Chemistry
    Impact factor: 1.582, year: 2016
    Permanent Link: http://hdl.handle.net/11104/0265119
     
     

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