Search Results - "Mareš, Jiří"

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  1. 1

    Magnetic Couplings in the Chemical Shift of Paramagnetic NMR by Vaara, Juha, Rouf, Syed Awais, Mareš, Jiří

    Published in Journal of chemical theory and computation (13-10-2015)
    “…We apply the Kurland–McGarvey (J. Magn. Reson. 1970, 2, 286) theory for the NMR shielding of paramagnetic molecules, particularly its special case limited to…”
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  2. 2

    Pseudo-Contact NMR Shifts over the Paramagnetic Metalloprotein CoMMP-12 from First Principles by Benda, Ladislav, Mareš, Jiří, Ravera, Enrico, Parigi, Giacomo, Luchinat, Claudio, Kaupp, Martin, Vaara, Juha

    Published in Angewandte Chemie International Edition (14-11-2016)
    “…Long‐range pseudo‐contact NMR shifts (PCSs) provide important restraints for the structure refinement of proteins when a paramagnetic metal center is present,…”
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  3. 3

    Hyper-CEST NMR of metal organic polyhedral cages reveals hidden diastereomers with diverse guest exchange kinetics by Jayapaul, Jabadurai, Komulainen, Sanna, Zhivonitko, Vladimir V., Mareš, Jiří, Giri, Chandan, Rissanen, Kari, Lantto, Perttu, Telkki, Ville-Veikko, Schröder, Leif

    Published in Nature communications (31-03-2022)
    “…Guest capture and release are important properties of self-assembling nanostructures. Over time, a significant fraction of guests might engage in short-lived…”
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  4. 4

    Are there any narrow K−-nuclear states? by Hrtánková, Jaroslava, Mareš, Jiří

    Published in Physics letters. B (10-07-2017)
    “…We performed self-consistent calculations of K−-nuclear quasi-bound states using a single-nucleon K− optical potential derived from chiral meson–baryon…”
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  5. 5

    Relativistic Approximations to Paramagnetic NMR Chemical Shift and Shielding Anisotropy in Transition Metal Systems by Rouf, Syed Awais, Mareš, Jiří, Vaara, Juha

    Published in Journal of chemical theory and computation (08-08-2017)
    “…We apply approximate relativistic methods to calculate the magnetic property tensors, i.e., the g-tensor, zero-field splitting (ZFS) tensor ( D ), and…”
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  6. 6

    Calculations of K− nuclear quasi-bound states based on chiral meson–baryon amplitudes by Gazda, Daniel, Mareš, Jiří

    Published in Nuclear physics. A (01-05-2012)
    “…In-medium K¯N scattering amplitudes developed within a new chirally motivated coupled-channel model due to Cieplý and Smejkal that fits the recent SIDDHARTA…”
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  7. 7

    Getting the intermolecular forces correct: introducing the ASTA strategy for a water model by Mareš, Jiří, Mayorga Delgado, Pau

    Published in RSC advances (12-08-2024)
    “…Having a force field for water providing good bulk properties is paramount for modern studies of most biological systems. Some of the most common three-site…”
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  8. 8

    Ethical and Moral Aspects of School Education: The situation in the Czech Republic by Mareš, Jiří

    Published in Pedagogika (23-02-2020)
    “…This review study focuses on ethical and moral aspects of school education in the Czech Republic after 1989, when change occurred not only in the political…”
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  9. 9

    Inconsistences persisting in the conceptual structure of thermal physics and the nature of fundamental constants by Mareš, Jiří J., Špička, Václav, Šesták, Jaroslav

    “…Abstract Conceptual structure of contemporary thermal physics is by no means simple, understandable and free of contradictions or ambiguities. As many students…”
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  10. 10

    Reflections on how to evaluate the professional value of scientific papers and their corresponding citations by Fiala, Jaroslav, Mareš, Jiří J., Šesták, Jaroslav

    Published in Scientometrics (01-07-2017)
    “…It is inevitable that the ´publish or perish´ paradigm has implications for the quality of research published because this leads to scientific output being…”
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  11. 11

    The influence of sandwich panel cladding on horizontal structure stiffness by Židlický, Břetislav, Mareš, Jiří, Wald, František

    Published in Thin-walled structures (01-06-2024)
    “…•Stressed-skin full scale test on steel monopitch portal frame was conducted.•Comparison of test data provided clear influence of the cladding on the…”
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  12. 12

    Thought experiments in electromagnetic theory and the ordinary Hall effect by Mareš, Jiří J., Špička, Václav, Hubík, Pavel

    “…Thought experiments are effective tools of theoretical physics, and historically they have led to the discovery of many useful ideas and relations. Yet they…”
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  13. 13

    On physical processes controlling nerve signalling by Mareš, Jiří J., Špička, Václav, Hubík, Pavel

    “…The intensive experimental and theoretical research into the nerve signalling, which lasts for more than 230 years, has provided many valuable pieces of…”
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  14. 14

    Současné pohledy na kategorii pohoda (well-being) by Mareš, Jiří

    Published in Pedagogika (15-11-2024)
    “…Přehledová studie se věnuje pojmu, jenž vzbuzuje v posledních desetiletích zvýšený zájem odborníků z různých oborů, třebaže jeho základy položili filozofové už…”
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  15. 15

    Students' Indiscipline in the Classroom by Mareš, Jiří

    Published in Pedagogická orientace (01-12-2018)
    “…The overview study is based on 121 foreign research papers dated 1986-2018. It focuses on studies conducted in the Euro-American sociocultural environment. The…”
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  16. 16

    Gas Uptake and Thermodynamics in Porous Liquids Elucidated by 129Xe NMR by Mailhiot, Sarah E., Peuravaara, Petri, Egleston, Benjamin D., Kearsey, Rachel J., Mareš, Jiří, Komulainen, Sanna, Selent, Anne, Kantola, Anu M., Cooper, Andrew I., Vaara, Juha, Greenaway, Rebecca L., Lantto, Perttu, Telkki, Ville-Veikko

    Published in The journal of physical chemistry letters (23-05-2024)
    “…We exploited 129Xe NMR to investigate xenon gas uptake and dynamics in a porous liquid formed by dissolving porous organic cages in a cavity-excluded solvent…”
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    Interaction of antiprotons with nuclei by Hrtánková, Jaroslava, Mareš, Jiří

    Published in Nuclear physics. A (01-01-2016)
    “…We performed fully self-consistent calculations of p¯-nuclear bound states using a complex p¯-nucleus potential accounting for p¯-atom data. While the real…”
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  19. 19

    Do we know what the temperature is? by Mares, Jiri J

    “…Temperature, the central concept of thermal physics, is one of the most frequently employed physical quantities in common practice. Even though the operative…”
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  20. 20

    Spin Doublet Point Defects in Graphenes: Predictions for ESR and NMR Spectral Parameters by Vähäkangas, Jarkko, Lantto, Perttu, Mareš, Jiří, Vaara, Juha

    Published in Journal of chemical theory and computation (11-08-2015)
    “…An adatom on a graphene surface may carry a magnetic moment causing spin-half paramagnetism. This theoretically predicted phenomenon has recently also been…”
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