Works matching DE "BOND energy (Chemistry)"
Results: 174
Quantitative Reactivity Models for Oxidative Addition to L<sub>2</sub>Pd(0): Additional Substrate Classes, Solvents, and Mechanistic Insights.
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- Chemistry - A European Journal, 2024, v. 30, n. 62, p. 1, doi. 10.1002/chem.202402282
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Correlation of Experimental and Calculated Reaction Enthalpies with Ligand Donor Strengths.
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- Chemistry - A European Journal, 2023, v. 29, n. 28, p. 1, doi. 10.1002/chem.202300151
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Attenuating N‐Oxyl Decomposition for Improved Hydrogen Atom Transfer Catalysts.
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- Angewandte Chemie, 2024, v. 136, n. 21, p. 1, doi. 10.1002/ange.202315917
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Bond Energies of Adsorbed Intermediates to Metal Surfaces: Correlation with Hydrogen–Ligand and Hydrogen–Surface Bond Energies and Electronegativities.
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- Angewandte Chemie, 2018, v. 130, n. 51, p. 17119, doi. 10.1002/ange.201811225
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Noncovalent Carbon‐Bonding Interactions in Proteins.
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- Angewandte Chemie, 2018, v. 130, n. 50, p. 16734, doi. 10.1002/ange.201811171
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Wavelength‐Controlled Dynamic Metathesis: A Light‐Driven Exchange Reaction between Disulfide and Diselenide Bonds.
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- Angewandte Chemie, 2018, v. 130, n. 50, p. 16664, doi. 10.1002/ange.201810297
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The influence of the Fe<sub>2</sub>O<sub>3</sub> content on the Raman spectra of sapphires.
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- Journal of Raman Spectroscopy, 2017, v. 48, n. 3, p. 453, doi. 10.1002/jrs.5043
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Number-of-layer, pressure, and temperature resolved bond-phonon-photon cooperative relaxation of layered black phosphorus.
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- Journal of Raman Spectroscopy, 2016, v. 47, n. 11, p. 1304, doi. 10.1002/jrs.4964
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Investigation of correlation between impact sensitivities and bond dissociation energies in benzenoid nitro compounds.
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- Journal of Structural Chemistry, 2013, v. 54, n. 3, p. 499, doi. 10.1134/S0022476613030049
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Bond energies (Pt-NH, Pt-Cl) and proton affinity of cisplatin: A density functional theory approach.
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- Journal of Structural Chemistry, 2012, v. 53, n. 3, p. 436, doi. 10.1134/S0022476612030043
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Nanomaterial Functionalization Modulates Hard Protein Corona Formation: Atomistic Simulations Applied to Graphitic Materials.
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- Advanced Materials Interfaces, 2022, v. 9, n. 1, p. 1, doi. 10.1002/admi.202101236
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The δ Bond and Trigonal Paddlewheels Before the Dawn of the Quintuple Bond.
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- Comments on Inorganic Chemistry, 2015, v. 35, n. 1, p. 39, doi. 10.1080/02603594.2014.1002033
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Role of Sulphur and Heavier Chalcogens on the Antioxidant Power and Bioactivity of Natural Phenolic Compounds.
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- Biomolecules (2218-273X), 2022, v. 12, n. 1, p. 90, doi. 10.3390/biom12010090
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A theoretical study on bonding and energy aspects of and [LnL 3 · H 2 O] complexes (Ln = La, Eu, Gd, L · u; L = β-diketone, β-dithioketone, β-diphosphine oxide).
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- Molecular Physics, 2012, v. 110, n. 18, p. 2239, doi. 10.1080/00268976.2012.670279
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Characterization of Shear Strength and Bonding Energy of Laser Produced Welding Seams in Glass.
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- Journal of Laser Micro / Nanoengineering, 2012, v. 7, n. 3, p. 279, doi. 10.2961/jlmn.2012.03.0009
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Substituent effect on N-H bond dissociation enthalpies of carbamates: a theoretical study.
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- Canadian Journal of Chemistry, 2015, v. 93, n. 3, p. 279, doi. 10.1139/cjc-2014-0326
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DFT/B3LYP Study of the Substituent Effects on the Reaction Enthalpies of the Antioxidant Mechanisms of Sesamol Derivatives in the Gas phase and water.
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- Canadian Journal of Chemistry, 2012, v. 90, n. 10, p. 915, doi. 10.1139/v2012-087
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The role of surface free energy in osteoblast-biomaterial interactions.
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- International Materials Reviews, 2014, v. 59, n. 8, p. 417, doi. 10.1179/1743280414Y.0000000038
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The virtual conference on chemistry and its applications, VCCA-2022, 8–12 August 2022.
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- Pure & Applied Chemistry, 2023, v. 95, n. 3, p. 167, doi. 10.1515/pac-2023-2002
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Theoretical investigations on stabilities, sensitivity, energetic performance and mechanical properties of CL-20/NTO cocrystal explosives by molecular dynamics simulation.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 8, p. 1, doi. 10.1007/s00214-018-2297-x
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The substituent effect on the antioxidant capacity of catechols and resorcinols.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 7, p. 1, doi. 10.1007/s00214-016-1932-7
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Concurrent loss of aromaticity and onset of superexchange in MgNa with an increasing Na-Mg distance.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2013, v. 132, n. 10, p. 1, doi. 10.1007/s00214-013-1391-3
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A goal-oriented adaptive procedure for the quasi-continuum method with cluster approximation.
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- Computational Mechanics, 2015, v. 55, n. 4, p. 617, doi. 10.1007/s00466-015-1127-4
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Conformational Analysis of [60]PCBM from DFT Simulations of Electronic Energies, Bond Strain and the <sup>13</sup>C NMR Spectrum: Input Geometry Determination and Ester Bond Rotation Dynamics.
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- C, 2021, v. 7, n. 3, p. 1, doi. 10.3390/c7030066
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Predicting the dissolution kinetics of silicate glasses by topology-informed machine learning.
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- NPJ Materials Degradation, 2019, v. 3, n. 1, p. N.PAG, doi. 10.1038/s41529-019-0094-1
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Effect of Surfactant Addition on the Dispersion and Antioxidant Performance of Pyrogallol in Biodiesel.
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- Makara Journal of Science, 2020, v. 24, n. 4, p. 240, doi. 10.7454/mss.v24i4.1018
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Influence of water activity on the properties of wheat flour.
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- Ukrainian Food Journal, 2021, v. 10, n. 2, p. 375, doi. 10.24263/2304-974X-2021-10-2-13
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Nuclear territory predicted with a newly developed hyperon-nucleon interaction.
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- European Physical Journal A -- Hadrons & Nuclei, 2014, v. 50, n. 3, p. 1, doi. 10.1140/epja/i2014-14052-7
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Thermal expansion behavior of Ge-Sb-Se glasses in a compositional range for molded infrared lens applications.
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- International Journal of Applied Glass Science, 2017, v. 8, n. 2, p. 226, doi. 10.1111/ijag.12219
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PubChem atom environments.
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- Journal of Cheminformatics, 2015, v. 7, n. 1, p. 1, doi. 10.1186/s13321-015-0076-4
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Tensile Bond Strength between Soft Liners and Two Chemically Different Denture Base Materials: Effect of Thermocycling.
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- Journal of Prosthodontics, 2016, v. 25, n. 4, p. 319, doi. 10.1111/jopr.12296
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Microtensile Bond Strength of Lithium Disilicate to Zirconia with the CAD-on Technique.
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- Journal of Prosthodontics, 2015, v. 24, n. 3, p. 188, doi. 10.1111/jopr.12246
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Application of Size and Shape Dependent Model for Shear Modulus of Nanomaterials.
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- Indian Journal of Pure & Applied Physics, 2022, v. 60, n. 11, p. 951, doi. 10.56042/ijpap.v60i11.63437
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A new predictive model for the bond strength of FRP-to-concrete composite joints.
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- Structural Concrete, 2014, v. 15, n. 4, p. 509, doi. 10.1002/suco.201300093
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Electrocatalysis: Exfoliated Layered Manganese Trichalcogenide Phosphite (MnPX<sub>3</sub>, X = S, Se) as Electrocatalytic van der Waals Materials for Hydrogen Evolution (Adv. Funct. Mater. 2/2019).
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- Advanced Functional Materials, 2019, v. 29, n. 2, p. N.PAG, doi. 10.1002/adfm.201805975
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Chemical Ordering: Effect of Chemical Bonding Characteristics on Ordering Structure in Li Spinel Oxides (Adv. Funct. Mater. 2/2019).
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- Advanced Functional Materials, 2019, v. 29, n. 2, p. N.PAG, doi. 10.1002/adfm.201970007
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Effect of Chemical Bonding Characteristics on Ordering Structure in Li Spinel Oxides.
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- Advanced Functional Materials, 2019, v. 29, n. 2, p. N.PAG, doi. 10.1002/adfm.201805972
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Melt stabilization of polyethylene with natural antioxidants: comparison of a natural extract and its main component.
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- Journal of Thermal Analysis & Calorimetry, 2021, v. 145, n. 1, p. 67, doi. 10.1007/s10973-020-09709-5
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Crystallization kinetics of binary arsenic selenium chalcogenides.
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- Journal of Thermal Analysis & Calorimetry, 2019, v. 135, n. 4, p. 2069, doi. 10.1007/s10973-018-7336-2
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A simple, fast and convenient new method for predicting the stability of nitro compounds.
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- Journal of Computer-Aided Molecular Design, 2015, v. 29, n. 5, p. 471, doi. 10.1007/s10822-015-9837-4
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Study on the selection of laser wavelengths in the intravascular low-level laser irradiation therapy.
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- Lasers in Medical Science, 2015, v. 30, n. 4, p. 1373, doi. 10.1007/s10103-015-1732-7
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Microstructure and phase transformation of Ti<sub>3</sub>AC<sub>2</sub> (A = Al, Si) in hydrofluoric acid solution.
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- Crystal Research & Technology, 2014, v. 49, n. 10, p. 813, doi. 10.1002/crat.201400189
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Energy characteristics of chemical bonds and radical reorganizations.
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- Doklady Physical Chemistry, 2015, v. 465, n. 1, p. 287, doi. 10.1134/S0012501615110081
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Controlled Lattice Thermal Conductivity of Transparent Conductive Oxide Thin Film via Localized Vibration of Doping Atoms.
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- Nanomaterials (2079-4991), 2021, v. 11, n. 9, p. 2363, doi. 10.3390/nano11092363
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Exceedingly High Performance Top-Gate P-Type SnO Thin Film Transistor with a Nanometer Scale Channel Layer.
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- Nanomaterials (2079-4991), 2021, v. 11, n. 1, p. 92, doi. 10.3390/nano11010092
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Effect of propolis as a root canal irrigant on bond strength to dentin.
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- Journal of Applied Biomaterials & Functional Materials, 2015, v. 13, n. 4, p. e362, doi. 10.5301/jabfm.5000240
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Effect of QMix irrigant on bond strength of glass fibre posts to root dentine.
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- International Endodontic Journal, 2014, v. 47, n. 3, p. 280, doi. 10.1111/iej.12145
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Comparison of Push-Out Bond Strength of Three Calcium Silicate Cements to Dentin.
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- Turkiye Klinikleri Journal of Dental Sciences, 2016, v. 22, n. 1, p. 29, doi. 10.5336/dentalsci.2015-47969
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Ist eine polare Bindung notwendig für eine Säure? – Analyse einer verbreiteten Erklärung.
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- Chemkon - Chemie Konkret, 2022, v. 29, n. 1, p. 13, doi. 10.1002/ckon.202000030
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Rietveld refinement and structure verification using `Morse' restraints.
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- Journal of Applied Crystallography, 2012, v. 45, n. 6, p. 1187, doi. 10.1107/S0021889812044147
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