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On the geometry dependence of the nuclear magnetic resonance chemical shift of mercury in thiolate complexes: A relativistic density functional theory study.
- Published in:
- Magnetic Resonance in Chemistry, 2024, v. 62, n. 9, p. 648, doi. 10.1002/mrc.5452
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- Publication type:
- Article
Sichtkontrolle, Pflege und Funktionskontrolle von chirurgischen Instrumenten.
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- Zentralsterilisation, 2024, v. 32, n. 4, p. 195
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- Publication type:
- Article
The Importance of Anharmonicity and Solvent Effects on the OH Radical Attack on Nucleobases.
- Published in:
- International Journal of Molecular Sciences, 2024, v. 25, n. 6, p. 3118, doi. 10.3390/ijms25063118
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- Publication type:
- Article
Empfehlung des Fachausschusses Qualität (128): Personalqualifikation in der Aufbereitungseinheit für Medizinprodukte (AEMP).
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- Zentralsterilisation, 2024, v. 32, n. 2, p. 76
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- Publication type:
- Article
13 C NMR Chemical Shifts of Saccharides in the Solid State: A Density Functional Theory Study.
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- Magnetochemistry, 2023, v. 9, n. 8, p. 192, doi. 10.3390/magnetochemistry9080192
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- Publication type:
- Article
Sources of performance variability in deep learning-based polyp detection.
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- International Journal of Computer Assisted Radiology & Surgery, 2023, v. 18, n. 7, p. 1311, doi. 10.1007/s11548-023-02936-9
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- Publication type:
- Article
A Theoretical Study of Hydrogen Abstraction Reactions in Guanosine and Uridine.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 9, p. 8192, doi. 10.3390/ijms24098192
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- Publication type:
- Article
The Importance of Solvent Effects in Calculations of NMR Coupling Constants at the Doubles Corrected Higher Random-Phase Approximation.
- Published in:
- Magnetochemistry, 2023, v. 9, n. 4, p. 102, doi. 10.3390/magnetochemistry9040102
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- Publication type:
- Article
A Combined Experimental and Theoretical Study of ESR Hyperfine Coupling Constants for N,N,N',N' -Tetrasubstituted p -Phenylenediamine Radical Cations.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 4, p. 3447, doi. 10.3390/ijms24043447
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- Publication type:
- Article
Reinigung und Desinfektion von Sterilisationscontainern sowie Transport- und Lagerungsbehältern für desinfizierte und sterilisierte sowie kontaminierte Medizinprodukte.
- Published in:
- Zentralsterilisation, 2022, v. 30, n. 5, p. 242
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- Publication type:
- Article
Magnesium(II)‐ATP Complexes in 1‐Ethyl‐3‐Methylimidazolium Acetate Solutions Characterized by <sup>31</sup>Mg β‐Radiation‐Detected NMR Spectroscopy.
- Published in:
- Angewandte Chemie, 2022, v. 134, n. 35, p. 1, doi. 10.1002/ange.202207137
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- Publication type:
- Article
Magnesium(II)‐ATP Complexes in 1‐Ethyl‐3‐Methylimidazolium Acetate Solutions Characterized by <sup>31</sup>Mg β‐Radiation‐Detected NMR Spectroscopy.
- Published in:
- Angewandte Chemie International Edition, 2022, v. 61, n. 35, p. 1, doi. 10.1002/anie.202207137
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- Publication type:
- Article
Ecosystem Gross Primary Productivity After Autumn Snowfall and Melt Events in a Mountain Meadow.
- Published in:
- Journal of Geophysical Research. Biogeosciences, 2022, v. 127, n. 8, p. 1, doi. 10.1029/2022JG006867
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- Publication type:
- Article
Extending NMR Quantum Computation Systems by Employing Compounds with Several Heavy Metals as Qubits.
- Published in:
- Magnetochemistry, 2022, v. 8, n. 5, p. 47, doi. 10.3390/magnetochemistry8050047
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- Publication type:
- Article
Modern Eastern Canadian Arctic Lake Water Isotopes Exhibit Latitudinal Patterns in Inflow Seasonality and Minimal Evaporative Enrichment.
- Published in:
- Paleoceanography & Paleoclimatology, 2022, v. 37, n. 5, p. 1, doi. 10.1029/2021PA004384
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- Publication type:
- Article
Azo‐hydrazone molecular switches: Synthesis and NMR conformational investigation.
- Published in:
- Magnetic Resonance in Chemistry, 2021, v. 59, n. 11, p. 1116, doi. 10.1002/mrc.5164
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- Publication type:
- Article
The aug‐cc‐pVTZ‐J basis set for the p‐block fourth‐row elements Ga, Ge, As, Se, and Br.
- Published in:
- Magnetic Resonance in Chemistry, 2021, v. 59, n. 11, p. 1134, doi. 10.1002/mrc.5166
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- Publication type:
- Article
The best density functional theory functional for the prediction of <sup>1</sup>H and <sup>13</sup>C chemical shifts of protonated alkylpyrroles.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 18, p. 1248, doi. 10.1002/jcc.26540
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- Publication type:
- Article
Benchmarking anisotropic polarizabilities for 14 (hetero)‐aromatic molecules at RPA, RPA(D), HRPA, HRPA(D), SOPPA, SOPPA(CC2), SOPPA(CCSD), CC2, CCSD and CC3 levels.
- Published in:
- International Journal of Quantum Chemistry, 2021, v. 121, n. 9, p. 1, doi. 10.1002/qua.26593
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- Publication type:
- Article
A Density Functional Theory Study of Optical Rotation in Some Aziridine and Oxirane Derivatives.
- Published in:
- ChemPhysChem, 2021, v. 22, n. 8, p. 764, doi. 10.1002/cphc.202001010
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- Publication type:
- Article
Séroprevalence protilátek proti spalničkám u zaměstnanců Fakultní nemocnice Olomouc před přeočkováním a po přeočkování - pilotní studie.
- Published in:
- Epidemiology, Microbiology, Immunology / Epidemiologie, Mikrobiologie, Imunologie, 2021, v. 70, n. 2, p. 104
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- Publication type:
- Article
Noniterative Doubles Corrections to the Random Phase and Higher Random Phase Approximations: Singlet and Triplet Excitation Energies.
- Published in:
- Journal of Computational Chemistry, 2020, v. 41, n. 1, p. 43, doi. 10.1002/jcc.26074
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- Publication type:
- Article
Aufbereitung Flexibler Endoskope - Vor- und Nachteile einer AEMP nah am Untersuchungsort oder fern vom Untersuchungsort.
- Published in:
- Zentralsterilisation, 2019, v. 27, n. 4, p. 228
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- Publication type:
- Article
Reprocessing flexible endoscopes - pros and cons of a RUMED close to or far from the site of use.
- Published in:
- Zentralsterilisation, 2019, v. 27, n. 4, p. 258
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- Publication type:
- Article
Coulomb Force Effects in Few-Nucleon Systems.
- Published in:
- Few-Body Systems, 2019, v. 60, n. 2, p. N.PAG, doi. 10.1007/s00601-019-1496-x
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- Publication type:
- Article
Computational Prediction of <sup>1</sup>H and <sup>13</sup>C NMR Chemical Shifts for Protonated Alkylpyrroles: Electron Correlation and Not Solvation is the Salvation.
- Published in:
- ChemPhysChem, 2019, v. 20, n. 1, p. 78, doi. 10.1002/cphc.201801066
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- Publication type:
- Article
RPA(D) and HRPA(D): Two new models for calculations of NMR indirect nuclear spin–spin coupling constants.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 32, p. 2647, doi. 10.1002/jcc.25712
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- Publication type:
- Article
The influence of relativistic effects on nuclear magnetic resonance spin–spin coupling constant polarizabilities of H<sub>2</sub>O<sub>2</sub>, H<sub>2</sub>S<sub>2</sub>, H<sub>2</sub>Se<sub>2</sub>, and H<sub>2</sub>Te<sub>2</sub>.
- Published in:
- Journal of Computational Chemistry, 2018, v. 39, n. 31, p. 2589, doi. 10.1002/jcc.25648
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- Publication type:
- Article
Intrathorakale Anastomoseninsuffizienz nach Ösophagus- und Kardiaresektion.
- Published in:
- Der Chirurg, 2018, v. 89, n. 12, p. 945, doi. 10.1007/s00104-018-0738-7
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- Publication type:
- Article
Der Nutzen von MRT-Steady-State-Sequenzen als zusätzliche Auswertungsmethode bei Patienten mit Vestibularisschwannom nach LINAC-stereotaktischer Radiotherapie oder Radiochirurgie.
- Published in:
- 2018
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- Publication type:
- journal article
Human rotavirus A detection: Comparison of enzymatic immunoassay and rapid chromatographic test with two quantitative RT-PCR assays.
- Published in:
- Epidemiology, Microbiology, Immunology / Epidemiologie, Mikrobiologie, Imunologie, 2018, v. 67, n. 3, p. 110
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- Publication type:
- Article
The role of explicit solvent molecules in the calculation of NMR chemical shifts of glycine in water.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 7, p. 1, doi. 10.1007/s00214-018-2261-9
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- Publication type:
- Article
A Physical Model of the Proton Radiation Belts of Jupiter inside Europa's Orbit.
- Published in:
- Journal of Geophysical Research. Space Physics, 2018, v. 123, n. 5, p. 3512, doi. 10.1029/2018JA025216
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- Publication type:
- Article
Frontispiece: Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: [ReF<sub>6</sub>]<sup>2−</sup> and [IrF<sub>6</sub>]<sup>2−</sup>.
- Published in:
- Chemistry - A European Journal, 2018, v. 24, n. 20, p. 1, doi. 10.1002/chem.201882068
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- Publication type:
- Article
Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: [ReF<sub>6</sub>]<sup>2−</sup> and [IrF<sub>6</sub>]<sup>2−</sup>.
- Published in:
- Chemistry - A European Journal, 2018, v. 24, n. 20, p. 5124, doi. 10.1002/chem.201704653
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- Publication type:
- Article
Theoretical study of the NMR chemical shift of Xe in supercritical condition.
- Published in:
- Journal of Molecular Modeling, 2018, v. 24, n. 3, p. 0, doi. 10.1007/s00894-018-3600-4
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- Publication type:
- Article
On the convergence of the ccJ-pVXZ and pcJ-n basis sets in CCSD calculations of nuclear spin-spin coupling constants: some difficult cases.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 3, p. 1, doi. 10.1007/s00214-018-2217-0
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- Publication type:
- Article
Spatio-temporal granzyme B and caspase-8 activity in tumor cells during serial killing by Natural Killer cells.
- Published in:
- European Journal of Immunology, 2017, v. 47, p. 238, doi. 10.1002/eji.201770300
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- Publication type:
- Article
Cover Feature: Molecular Switching in Confined Spaces: Effects of Encapsulating the DHA/VHF Photo-Switch in Cucurbiturils (Chem. Eur. J. 67/2017).
- Published in:
- Chemistry - A European Journal, 2017, v. 23, n. 67, p. 16916, doi. 10.1002/chem.201704331
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- Publication type:
- Article
Molecular Switching in Confined Spaces: Effects of Encapsulating the DHA/VHF Photo-Switch in Cucurbiturils.
- Published in:
- Chemistry - A European Journal, 2017, v. 23, n. 67, p. 17010, doi. 10.1002/chem.201703196
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- Publication type:
- Article
The Effect of Solvation on the Radiation Damage Rate Constants for Adenine.
- Published in:
- ChemPhysChem, 2016, v. 17, n. 19, p. 3086, doi. 10.1002/cphc.201600533
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- Publication type:
- Article
Plasmonic activation of gold nanorods for remote stimulation of calcium signaling and protein expression in HEK 293T cells.
- Published in:
- Biotechnology & Bioengineering, 2016, v. 113, n. 10, p. 2228, doi. 10.1002/bit.25984
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- Publication type:
- Article
Iron Filings Cement Engineered Soil Mix.
- Published in:
- Agronomy Journal, 2016, v. 108, n. 4, p. 1753, doi. 10.2134/agronj2015.0427
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- Publication type:
- Article
Spin-orbit ZORA and four-component Dirac- Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble gas dimers.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 4, p. 395, doi. 10.1002/jcc.24228
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- Publication type:
- Article
Insight into the Mechanism of the Initial Reaction of an OH Radical with DNA/RNA Nucleobases: A Computational Investigation of Radiation Damage.
- Published in:
- Chemistry - A European Journal, 2015, v. 21, n. 49, p. 17786, doi. 10.1002/chem.201503107
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- Publication type:
- Article
Komplikationsmanagement nach Lebertransplantation.
- Published in:
- Der Chirurg, 2015, v. 86, n. 2, p. 139, doi. 10.1007/s00104-014-2883-y
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- Publication type:
- Article
Reduction in alkaline phosphatase is associated with longer survival in primary sclerosing cholangitis, independent of dominant stenosis.
- Published in:
- Alimentary Pharmacology & Therapeutics, 2014, v. 40, n. 11/12, p. 1292, doi. 10.1111/apt.12979
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- Publication type:
- Article
Evidenzlage der laparoskopischen Chirurgie beim Rektumkarzinom.
- Published in:
- Der Chirurg, 2014, v. 85, n. 7, p. 578, doi. 10.1007/s00104-014-2743-9
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- Publication type:
- Article
Fut2 genotype is a risk factor for dominant stenosis and biliary candida infections in primary sclerosing cholangitis.
- Published in:
- Alimentary Pharmacology & Therapeutics, 2014, v. 39, n. 8, p. 873, doi. 10.1111/apt.12663
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- Publication type:
- Article
Effects of paternal and maternal lifestyle factors on pregnancy complications and perinatal outcome. A population-based birth-cohort study: the GECKO Drenthe cohort.
- Published in:
- 2014
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- Publication type:
- Journal Article