Works matching DE "BOND energy (Chemistry)"
Results: 172
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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- Article
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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- Article
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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- Article
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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- Article
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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- Article
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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- Article
Compliance constants: are they of any real use?
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- WIREs: Computational Molecular Science, 2014, v. 4, n. 2, p. 111, doi. 10.1002/wcms.1155
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- Article
High‐Fidelity Dimerization of Xanthenyl Radicals and Dynamic Qualities of a Congested Ethane: Diethyl Dixanthenyl‐9,9′‐Dicarboxylate.
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- European Journal of Organic Chemistry, 2022, v. 2022, n. 1, p. 1, doi. 10.1002/ejoc.202100913
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- Article
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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- Article
Unusually Short Be−Be Distances with and without a Bond in Be<sub>2</sub>F<sub>2</sub> and in the Molecular Discusses Be<sub>2</sub>B<sub>8</sub> and Be<sub>2</sub>B<sub>7</sub><sup>−</sup>.
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- Angewandte Chemie International Edition, 2016, v. 55, n. 27, p. 7841, doi. 10.1002/anie.201601890
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- Article
Origin of Extraordinary Stability of Square-Planar Carbon Atoms in Surface Carbides of Cobalt and Nickel.
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- Angewandte Chemie International Edition, 2015, v. 54, n. 18, p. 5312, doi. 10.1002/anie.201501049
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- Article
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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- Article
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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- Article
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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- Article
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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- Article
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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- Article
Shear bond, wettability and AFM evaluations on CO<sub>2</sub> laser-irradiated CAD/CAM ceramic surfaces.
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- 2017
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- journal article
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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- Article
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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- Article
Structure confirmation, reactivity, bacterial mutagenicity and quantification of 2,2,4-tribromo-5-hydroxycyclopent-4-ene-1,3-dione in drinking water.
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- Communications Chemistry, 2024, v. 7, n. 1, p. 1, doi. 10.1038/s42004-024-01356-3
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- Article
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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- Article
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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- Article
Energy for the interface system of (Nb, Mo)C/γ-Fe.
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- Applied Physics A: Materials Science & Processing, 2017, v. 123, n. 8, p. 1, doi. 10.1007/s00339-017-1120-1
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- Article
Infrared and Structural Studies of Micro and Nano-crystalline Ta Doped Lead Zirconate Titanate Ceramics.
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- Defence Science Journal, 2018, v. 68, n. 4, p. 412, doi. 10.14429/dsj.68.12314
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- Article
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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- Article
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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- Article
Ice Regelation: Hydrogen-bond extraordinary recoverability and water quasisolid-phase-boundary dispersivity.
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- Scientific Reports, 2015, p. 13655, doi. 10.1038/srep13655
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- Article
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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- Article
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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- Article
Rupture of multiple receptor-ligand bonds: Bimodal distribution of bond rupture force.
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- European Physical Journal E -- Soft Matter, 2012, v. 35, n. 9, p. 1, doi. 10.1140/epje/i2012-12094-9
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- Article
Thermodynamic behaviour of two-dimensional vesicles revisited.
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- European Physical Journal E -- Soft Matter, 2012, v. 35, n. 4, p. 1, doi. 10.1140/epje/i2012-12030-1
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- Article
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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- Article
Corrigendum: Calculation of 7,12-dimethyl-benz[a]anthracene, revisited.
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- Canadian Journal of Chemistry, 2018, v. 96, n. 5, p. 492, doi. 10.1139/cjc-2018-0091
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- Article
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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- Article
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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- Article
An intrinsic volatility scale relevant to the Earth and Moon and the status of water in the Moon.
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- Meteoritics & Planetary Science, 2015, v. 50, n. 4, p. 568, doi. 10.1111/maps.12331
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- Article
Three-body calculation of Be double-Λ hypernuclei.
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- Pramana: Journal of Physics, 2014, v. 83, n. 3, p. 365, doi. 10.1007/s12043-014-0782-x
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- Article
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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- Article
Are Si–C bonds formed in the environment and/or in technical microbiological systems?
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- Environmental Science & Pollution Research, 2023, v. 30, n. 39, p. 91492, doi. 10.1007/s11356-023-28528-3
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- Article
The Bond Order of C<sub>2</sub> from a Strictly N-Representable Natural Orbital Energy Functional Perspective.
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- Chemistry - A European Journal, 2016, v. 22, n. 12, p. 4109, doi. 10.1002/chem.201504491
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- Article
The Chemical Bond in C<sub>2</sub>.
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- Chemistry - A European Journal, 2016, v. 22, n. 12, p. 4100, doi. 10.1002/chem.201503762
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- Article
C<sub>2</sub> in a Box: Determining Its Intrinsic Bond Strength for the X<sup>1</sup>Σ<sub>g</sub><sup>+</sup> Ground State.
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- Chemistry - A European Journal, 2016, v. 22, n. 12, p. 4087, doi. 10.1002/chem.201503750
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- Article
The Quadruple Bonding in C<sub>2</sub> Reproduces the Properties of the Molecule.
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- Chemistry - A European Journal, 2016, v. 22, n. 12, p. 4116, doi. 10.1002/chem.201600011
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- Article
A Ratiometric Fluorescent Probe Based on a Through-Bond Energy Transfer (TBET) System for Imaging HOCl in Living Cells.
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- Chemistry - A European Journal, 2015, v. 21, n. 52, p. 19058, doi. 10.1002/chem.201503500
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- Article
What Makes a Strong Organic Electron Donor (or Acceptor)?
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- Chemistry - A European Journal, 2015, v. 21, n. 23, p. 8578, doi. 10.1002/chem.201406597
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- Article
Revised Role of Selectfluor in Homogeneous Au-Catalyzed Oxidative CO Bond Formations.
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- Chemistry - A European Journal, 2014, v. 20, n. 48, p. 15833, doi. 10.1002/chem.201404277
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- Article
The Nature of the Fourth Bond in the Ground State of C<sub>2</sub>: The Quadruple Bond Conundrum.
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- 2014
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- Other
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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- Article
First-Principles Study of the Reaction between Fluorinated Graphene and Ethylenediamine.
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- Molecules, 2019, v. 24, n. 2, p. 284, doi. 10.3390/molecules24020284
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- Article
Quantum-Chemical Analysis of System Consisting of Two CdS Quantum Dots.
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- Theoretical & Experimental Chemistry, 2016, v. 52, n. 1, p. 27, doi. 10.1007/s11237-016-9446-x
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- Article