Works matching DE "CHEMICAL shift (Nuclear magnetic resonance)"
Results: 985
Insights of Density Functional Theory into JP-10 Tetrahydrodicyclopentadiene Fuel Properties.
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- Processes, 2025, v. 13, n. 2, p. 543, doi. 10.3390/pr13020543
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Isolation and Structural Determination of Makinolide B from Streptomyces sp. MK-19.
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- Bioscience, Biotechnology & Biochemistry, 2013, v. 77, n. 9, p. 1964, doi. 10.1271/bbb.130204
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Synthesis and Characterization of an Alicyclic Acid Anhydride Containing Four Stereoisomers and the Derived Polyamideimides Using Diisocyanates.
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- Macromolecular Chemistry & Physics, 2024, v. 225, n. 12, p. 1, doi. 10.1002/macp.202300438
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A Generalized Packing Model for Bulk Crystalline Regioregular Poly(3‐alkylthiophenes) with Extended Side Chains.
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- Macromolecular Chemistry & Physics, 2018, v. 219, n. 3, p. 1, doi. 10.1002/macp.201700266
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Electrostatic Surface Potentials and Chalcogen‐Bonding Motifs of Substituted 2,1,3‐Benzoselenadiazoles Probed via <sup>77</sup>Se Solid‐State NMR Spectroscopy.
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- Chemistry - A European Journal, 2024, v. 30, n. 51, p. 1, doi. 10.1002/chem.202402254
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Striking Borane Planarization in the Thermal Rearrangement (η<sup>5</sup>‐C<sub>5</sub>H<sub>5</sub>)Fe(η<sup>3</sup>‐B<sub>5</sub>H<sub>10</sub>)→(η<sup>5</sup>‐C<sub>5</sub>H<sub>5</sub>)Fe(η<sup>5</sup>‐B<sub>5</sub>H<sub>10</sub>)
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- Chemistry - A European Journal, 2024, v. 30, n. 40, p. 1, doi. 10.1002/chem.202401536
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Structure and Solution Behavior of Rare‐Earth‐Metal Complexes with Tripodal N‐Donor Ligands.
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- Chemistry - A European Journal, 2024, v. 30, n. 36, p. 1, doi. 10.1002/chem.202400781
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Elucidating the Binding Mode of Sulfur‐ and Selenium‐Based Cationic Chalcogen‐Bond Donors.
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- Chemistry - A European Journal, 2024, v. 30, n. 33, p. 1, doi. 10.1002/chem.202400608
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Fingerprints of Chalcogen Bonding Revealed Through <sup>77</sup>Se‐NMR.
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- Chemistry - A European Journal, 2024, v. 30, n. 30, p. 1, doi. 10.1002/chem.202400385
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Exploring Spin‐Orbit Effects in a [Cu<sub>6</sub>Tl]<sup>+</sup> Nanocluster Featuring an Uncommon Tl−H Interaction.
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- Chemistry - A European Journal, 2024, v. 30, n. 25, p. 1, doi. 10.1002/chem.202400390
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Bismuth Infrared Star: Being at a Glance.
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- Chemistry - A European Journal, 2023, v. 29, n. 69, p. 1, doi. 10.1002/chem.202301663
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A Preference for Heterolepticity ‐ Schlenk Type Equilibria in Organometallic Beryllium Systems.
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- Chemistry - A European Journal, 2023, v. 29, n. 60, p. 1, doi. 10.1002/chem.202302495
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Naphthodithiophene‐Fused Porphyrins: Synthesis, Characterization, and Impact of Extended Conjugation on Aromaticity.
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- Chemistry - A European Journal, 2023, v. 29, n. 57, p. 1, doi. 10.1002/chem.202302013
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Xanthene‐Separated 24 π‐Electron Antiaromatic Rosarin Dimer.
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- Chemistry - A European Journal, 2023, v. 29, n. 45, p. 1, doi. 10.1002/chem.202301501
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Controlling Swing Rates in Macrocyclic Molecular Mortise Hinges.
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- Chemistry - A European Journal, 2023, v. 29, n. 44, p. 1, doi. 10.1002/chem.202300987
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Electrostatic CH−π Interactions Can Override Fluorine Gauche Effects To Exert Conformational Control.
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- Chemistry - A European Journal, 2023, v. 29, n. 6, p. 1, doi. 10.1002/chem.202203139
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Acene Size‐Dependent Transition of The Radical Centers From the Metal to The Acene Parts In Monocationic Dinuclear (Diethynylacene)diyl Complexes.
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- Chemistry - A European Journal, 2022, v. 28, n. 55, p. 1, doi. 10.1002/chem.202201358
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The Stability of Hydrogen‐Bonded Ion‐Pair Complex Unexpectedly Increases with Increasing Solvent Polarity.
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- Angewandte Chemie, 2024, v. 136, n. 20, p. 1, doi. 10.1002/ange.202403218
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Nuclear Magnetic Resonance Chemical Shift as a Probe for Single‐Molecule Charge Transport.
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- Angewandte Chemie, 2024, v. 136, n. 19, p. 1, doi. 10.1002/ange.202402413
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Two Teams Are Better Than One: Where Theory and Experiment Successfully Interact.
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- Angewandte Chemie, 2024, v. 136, n. 3, p. 1, doi. 10.1002/ange.202317561
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Pushing Up the Size Limit of Boron‐doped peri‐Acenes: Modular Synthesis and Characterizations.
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- Angewandte Chemie, 2023, v. 135, n. 48, p. 1, doi. 10.1002/ange.202312055
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Tetra‐tert‐butyl‐s‐indacene is a Bond‐Localized C<sub>2h</sub> Structure and a Challenge for Computational Chemistry.
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- Angewandte Chemie, 2023, v. 135, n. 36, p. 1, doi. 10.1002/ange.202307379
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Cross‐Polarization Schemes for Improved Heteronuclear Transfers Involving Labile Protons in Biomolecular Solution NMR.
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- Angewandte Chemie, 2023, v. 135, n. 35, p. 1, doi. 10.1002/ange.202304900
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In Vivo Nitroreductase Imaging via Fluorescence and Chemical Shift Dependent <sup>19</sup>F NMR.
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- Angewandte Chemie, 2022, v. 134, n. 50, p. 1, doi. 10.1002/ange.202213495
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What Distinguishes the Strength and the Effect of a Lewis Acid: Analysis of the Gutmann–Beckett Method.
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- Angewandte Chemie, 2022, v. 134, n. 4, p. 1, doi. 10.1002/ange.202114550
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Surface Functionalization of Black Phosphorus with Nitrenes: Identification of P=N Bonds by Using Isotopic Labeling.
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- Angewandte Chemie, 2021, v. 133, n. 16, p. 9209, doi. 10.1002/ange.202016033
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A Large Starphene Comprising Pentacene Branches.
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- Angewandte Chemie, 2021, v. 133, n. 14, p. 7831, doi. 10.1002/ange.202016163
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A Neutral Three‐Membered 2π Aromatic Disilaborirane and the Unique Conversion into a Four‐Membered BSi<sub>2</sub>N‐Ring.
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- Angewandte Chemie, 2020, v. 132, n. 51, p. 23215, doi. 10.1002/ange.202009638
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Versatile Nickel(II) Scaffolds as Coordination‐Induced Spin‐State Switches for <sup>19</sup>F Magnetic Resonance‐Based Detection.
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- Angewandte Chemie, 2020, v. 132, n. 50, p. 22712, doi. 10.1002/ange.202010587
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<sup>183</sup>W NMR Spectroscopy Guides the Search for Tungsten Alkylidyne Catalysts for Alkyne Metathesis.
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- Angewandte Chemie, 2020, v. 132, n. 48, p. 21942, doi. 10.1002/ange.202009975
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Magnetically Induced Alignment of Natural Products for Stereochemical Structure Determination via NMR.
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- Angewandte Chemie, 2020, v. 132, n. 37, p. 15994, doi. 10.1002/ange.202004881
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Comprehensive and High‐Throughput Exploration of Chemical Space Using Broadband <sup>19</sup>F NMR‐Based Screening.
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- Angewandte Chemie, 2020, v. 132, n. 35, p. 14919, doi. 10.1002/ange.202002463
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Metal Alkyls with Alkylidynic Metal‐Carbon Bond Character: Key Electronic Structures in Alkane Metathesis Precatalysts.
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- Angewandte Chemie, 2020, v. 132, n. 18, p. 7101, doi. 10.1002/ange.201915557
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Structure of a Protein–RNA Complex by Solid‐State NMR Spectroscopy.
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- Angewandte Chemie, 2020, v. 132, n. 17, p. 6933, doi. 10.1002/ange.201915465
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Global Aromaticity and Antiaromaticity in Porphyrin Nanoring Anions.
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- Angewandte Chemie, 2019, v. 131, n. 44, p. 15864, doi. 10.1002/ange.201909032
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Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs.
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- Angewandte Chemie, 2019, v. 131, n. 44, p. 16002, doi. 10.1002/ange.201907499
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Rücktitelbild: DNP‐Supported Solid‐State NMR Spectroscopy of Proteins Inside Mammalian Cells (Angew. Chem. 37/2019).
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- Angewandte Chemie, 2019, v. 131, n. 37, p. 13296, doi. 10.1002/ange.201908849
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Innenrücktitelbild: Mechanism by which Tungsten Oxide Promotes the Activity of Supported V<sub>2</sub>O<sub>5</sub>/TiO<sub>2</sub> Catalysts for NO<sub>X</sub> Abatement: Structural Effects Revealed by <sup>51</sup>V MAS NMR Spectroscopy (Angew. Chem. 36/2019)
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- Angewandte Chemie, 2019, v. 131, n. 36, p. 12847, doi. 10.1002/ange.201908846
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Mechanism by which Tungsten Oxide Promotes the Activity of Supported V<sub>2</sub>O<sub>5</sub>/TiO<sub>2</sub> Catalysts for NO<sub>X</sub> Abatement: Structural Effects Revealed by <sup>51</sup>V MAS NMR Spectroscopy.
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- Angewandte Chemie, 2019, v. 131, n. 36, p. 12739, doi. 10.1002/ange.201904503
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Selective Inhibitors of FKBP51 Employ Conformational Selection of Dynamic Invisible States.
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- Angewandte Chemie, 2019, v. 131, n. 28, p. 9529, doi. 10.1002/ange.201902994
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Novel <sup>13</sup>C‐detected NMR Experiments for the Precise Detection of RNA Structure.
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- Angewandte Chemie, 2019, v. 131, n. 27, p. 9238, doi. 10.1002/ange.201904057
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NMR Crystallography: Evaluation of Hydrogen Positions in Hydromagnesite by <sup>13</sup>C{<sup>1</sup>H} REDOR Solid‐State NMR and Density Functional Theory Calculation of Chemical Shielding Tensors.
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- Angewandte Chemie, 2019, v. 131, n. 13, p. 4254, doi. 10.1002/ange.201813306
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Fast Magic‐Angle Spinning <sup>19</sup>F NMR Spectroscopy of HIV‐1 Capsid Protein Assemblies.
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- Angewandte Chemie, 2018, v. 130, n. 50, p. 16613, doi. 10.1002/ange.201809060
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Inter-model agreement on projected shifts in California hydroclimate characteristics critical to water management.
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- Climatic Change, 2020, v. 162, n. 3, p. 1493, doi. 10.1007/s10584-020-02882-4
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Electron Delocalization and Relativistic Effects in the Electronic Structure and NMR Parameters of (M = Rh, Ir) Complex Cations.
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- Journal of Structural Chemistry, 2023, v. 64, n. 8, p. 1391, doi. 10.1134/S0022476623080048
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STUDY OF THE STRUCTURE AND PARAMAGNETIC PROPERTIES OF THE [Dy(H<sub>2</sub>O)<sub>n</sub>(CyDTA)]<sup>–</sup> COMPLEX IN AN AQUEOUS SOLUTION USING NMR DATA.
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- Journal of Structural Chemistry, 2022, v. 63, n. 11, p. 1840, doi. 10.1134/S0022476622110142
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COMPUTATIONAL STUDIES OF THE PRODUCTS OF TOSYLATION AND para-NITROBENZENESULFOCHLORINATION OF β-AMINOPROPIOAMIDOXIMES.
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- Journal of Structural Chemistry, 2021, v. 62, n. 12, p. 1969, doi. 10.1134/S0022476621120167
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MOLECULAR STRUCTURE, FT-RAMAN, IR, NLO, NBO, HOMO–LUMO ANALYSIS, PHYSICOCHEMICAL DESCRIPTORS, ADME PARAMETERS, AND PHARMACOKINETIC BIOACTIVITY OF 2,3,5,6-TETRACHLORO-p-BENZOQUINONE.
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- Journal of Structural Chemistry, 2021, v. 62, n. 9, p. 1339, doi. 10.1134/S0022476621090031
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SYNTHESIS, SPECTROSCOPY, X-RAY CRYSTALLOGRAPHY, AND DFT CALCULATIONS OF (E)-4-{[(2-HYDROXYPHENYL) IMINO]METHYL}PHENYL BENZENESULFONATE.
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- Journal of Structural Chemistry, 2020, v. 61, n. 10, p. 1575, doi. 10.1134/S0022476620100091
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Computational Studies, NMR and Ir Spectral Analysis, Normal Coordinate Analysis, and Thermodynamic Properties of 2-Fluoro-4-Pyridineboronic Acid.
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- Journal of Structural Chemistry, 2020, v. 61, n. 3, p. 400, doi. 10.1134/S0022476620030075
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