Works matching DE "BOND energy (Chemistry)"
Results: 170
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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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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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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BOND DISSOCIATION ENTHALPY AS A TOOL TO STUDY URETHANE DEGRADATION.
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- Hungarian Materials & Chemical Sciences & Engineering, 2023, v. 47, n. 1, p. 100, doi. 10.32974/mse.2022.010
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Investigation of size effects in thin fibers.
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- Journal of Mathematical Sciences, 2013, v. 190, n. 6, p. 786, doi. 10.1007/s10958-013-1288-7
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Molecular electrostatic potentials as a quantitative measure of hydrogen bonding preferences in solution.
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- Supramolecular Chemistry, 2018, v. 30, n. 5/6, p. 455, doi. 10.1080/10610278.2017.1418876
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Quantum-chemical study of ytterbium fluorides and of complex FYbFCeF.
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- Russian Journal of General Chemistry, 2016, v. 86, n. 6, p. 1215, doi. 10.1134/S1070363216060013
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State of molybdenum clusters in solutions: II. Thermodynamics of formation of dimolybdenum(II) tetrakis(trifluoroacetate) complexes with hexamethylphosphotriamide in 1,2-dichloroethane.
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- Russian Journal of General Chemistry, 2015, v. 85, n. 10, p. 2227, doi. 10.1134/S1070363215100023
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Isoflavones and Isoflavone Glycosides: Structural-Electronic Properties and Antioxidant Relations—A Case of DFT Study.
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- Journal of Chemistry, 2019, p. 1, doi. 10.1155/2019/4360175
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Direct synthesis and catalytic activity of oxazole derivative copper II complex encapsulated in zeolite from rice husk.
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- Research on Chemical Intermediates, 2025, v. 51, n. 1, p. 235, doi. 10.1007/s11164-024-05446-8
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Reaction and Diffusion Paths of Water and Hydrogen on Rh Covered Black Titania.
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- Topics in Catalysis, 2018, v. 61, n. 12/13, p. 1362, doi. 10.1007/s11244-018-0990-6
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Synthesis, antioxidant activity, and density functional theory study of some novel 4-[(benzo[d]thiazol-2-ylimino)methyl]phenol derivatives: a comparative approach for the explanation of their radical scavenging activities.
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- Research in Pharmaceutical Sciences, 2021, v. 16, n. 1, p. 35, doi. 10.4103/1735-5362.305187
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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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Remediation of As(V) and Cd(II) Contamination by a ZVI-Biochar: Experimental and DFT Calculation.
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- Water, Air & Soil Pollution, 2024, v. 235, n. 1, p. 1, doi. 10.1007/s11270-023-06868-7
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Specific Proton-Donor Properties of Glycine Betaine. Metric Parameters and Enthalpy of Noncovalent Interactions in its Dimer, Water Complexes and Crystalline Hydrate.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 16, p. 12971, doi. 10.3390/ijms241612971
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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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Chiral Cp-Rhodium(III)-Catalyzed Asymmetric Hydroarylations of 1,1-Disubstituted Alkenes.
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- Angewandte Chemie, 2014, v. 126, n. 2, p. 517, doi. 10.1002/ange.201309207
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Stereoelectronic Effect of Curved Aromatic Structures: Favoring the Unexpected endo Conformation of Benzylic-Substituted Sumanene.
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- Angewandte Chemie, 2013, v. 125, n. 28, p. 7455, doi. 10.1002/ange.201303134
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A Response to the Critical Comments on 'One Molecule, Two Atoms, Three Views, Four Bonds?'.
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- Angewandte Chemie, 2013, v. 125, n. 23, p. 6040, doi. 10.1002/ange.201302350
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S-Factor of radiative рC capture.
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- Russian Physics Journal, 2012, v. 55, n. 1, p. 25, doi. 10.1007/s11182-012-9772-y
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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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Highly selective cleavage C–O ether bond of lignin model compounds over Ni/CaO–H-ZSM-5 in ethanol.
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- BMC Chemistry, 2019, v. 13, n. 1, p. N.PAG, doi. 10.1186/s13065-019-0557-z
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PREPARATION OF NANO-PALYGORSKITE / TUNG OIL / BORIC ACID TRIPLE MODIFIED RESIN REINFORCED COMPOSITE WOVEN BRAKE BAND AND ITS FRICTION AND WEAR PROPERTIES.
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- Journal of the Balkan Tribological Association, 2016, v. 22, n. 1A-I, p. 579
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Desilatranation of 1-organylsilatranes.
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- Russian Journal of Organic Chemistry, 2017, v. 53, n. 2, p. 309, doi. 10.1134/S1070428017020312
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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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Effect of Drug Encapsulation and Hydrothermal Exposure on the Structure and Molecular Dynamics of the Binary System Poly(3-hydroxybutyrate)-chitosan.
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- Polymers (20734360), 2023, v. 15, n. 10, p. 2260, doi. 10.3390/polym15102260
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The Influence of Syringic Acid and Erucic Acid on the Antioxidant Properties of Natural Rubber: Experimental and Molecular Simulation Investigations.
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- Polymers (20734360), 2022, v. 14, n. 20, p. 4254, doi. 10.3390/polym14204254
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Antioxidant Potential of Santowhite as Synthetic and Ascorbic Acid as Natural Polymer Additives.
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- Polymers (20734360), 2022, v. 14, n. 17, p. 3518, doi. 10.3390/polym14173518
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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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Homolytic Bond Strength and Radical Generation from (1‐Carbomethoxyethyl)pentacarbonylmanganese(I).
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- European Journal of Inorganic Chemistry, 2019, v. 2019, n. 39/40, p. 4228, doi. 10.1002/ejic.201900429
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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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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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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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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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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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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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Ionization and dissociative ionization of methane molecules.
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- Technical Physics, 2013, v. 58, n. 9, p. 1251, doi. 10.1134/S1063784213090272
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Electron-Deformational Phase Transitions in a TlGaSe<sub>2</sub> Layered Crystal.
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- Acta Physica Polonica: A, 2016, v. 129, n. 1A, p. A-123, doi. 10.12693/APhysPolA.129.A-123
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Bond Dissociation Energies and Electronic Structures in a Series of Peroxy Radicals: A Theoretical Study.
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- Journal of the Chinese Chemical Society, 2014, v. 61, n. 5, p. 556, doi. 10.1002/jccs.201300455
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Effect of sodium ascorbate on degree of conversion and bond strength of RealSeal SE to sodium hypochlorite treated root dentin.
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- Dental Materials Journal, 2013, v. 32, n. 1, p. 96, doi. 10.4012/dmj.2012-125
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Synergistic and antagonistic co-antioxidant effects of flavonoids with trolox or ascorbic acid in a binary mixture.
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- Journal of Chemical Sciences, 2019, v. 131, n. 5, p. N.PAG, doi. 10.1007/s12039-019-1618-5
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Sequential bond energies and structures of the Cr⋅(N), n =1 −4.
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- Journal of Chemical Sciences, 2014, v. 126, n. 6, p. 1743, doi. 10.1007/s12039-014-0730-9
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SOME REMARKS ON THE GLASS-TRANSITION TEMPERATURE IN CHALCOGENIDE GLASSES: A CORRELATION WITH THE MICROHARDNESS.
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- Chalcogenide Letters, 2013, v. 10, n. 1, p. 37
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BASIC PHYSICAL ANALYSIS OF NEW Sb-Se-Ge-In CHALCOGENIDE GLASSY ALLOYS BY PREDICTING STRUCTURAL UNITS: A THEORETICAL APPROACH.
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- Chalcogenide Letters, 2012, v. 9, n. 9, p. 389
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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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