Search Results - "Mareš, Jiří"
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Magnetic Couplings in the Chemical Shift of Paramagnetic NMR
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
Pseudo-Contact NMR Shifts over the Paramagnetic Metalloprotein CoMMP-12 from First Principles
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
Hyper-CEST NMR of metal organic polyhedral cages reveals hidden diastereomers with diverse guest exchange kinetics
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
Are there any narrow K−-nuclear states?
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
Relativistic Approximations to Paramagnetic NMR Chemical Shift and Shielding Anisotropy in Transition Metal Systems
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
Calculations of K− nuclear quasi-bound states based on chiral meson–baryon amplitudes
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
Getting the intermolecular forces correct: introducing the ASTA strategy for a water model
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
Ethical and Moral Aspects of School Education: The situation in the Czech Republic
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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Inconsistences persisting in the conceptual structure of thermal physics and the nature of fundamental constants
Published in Journal of thermal analysis and calorimetry (15-10-2024)“…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
Reflections on how to evaluate the professional value of scientific papers and their corresponding citations
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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The influence of sandwich panel cladding on horizontal structure stiffness
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
Thought experiments in electromagnetic theory and the ordinary Hall effect
Published in The European physical journal. ST, Special topics (01-12-2023)“…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
On physical processes controlling nerve signalling
Published in The European physical journal. ST, Special topics (01-12-2023)“…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
Současné pohledy na kategorii pohoda (well-being)
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
Students' Indiscipline in the Classroom
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
Gas Uptake and Thermodynamics in Porous Liquids Elucidated by 129Xe NMR
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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17
Staronové pohledy na některé pedagogické problémy
Published in Pedagogika (18-01-2024)Get full text
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18
Interaction of antiprotons with nuclei
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
Do we know what the temperature is?
Published in Journal of thermal analysis and calorimetry (01-04-2015)“…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
Spin Doublet Point Defects in Graphenes: Predictions for ESR and NMR Spectral Parameters
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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