Works matching DE "BOND order (Chemistry)"
Results: 28
Bond Order Indices of Iodine: From Molecular Complexes to Crystals.
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- Journal of Structural Chemistry, 2018, v. 59, n. 8, p. 1903, doi. 10.1134/S002247661808019X
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Gas-phase reaction of ClO<sup>−</sup> with CH<sub> n</sub>Cl<sub>4-</sub><sub> n</sub> ( n = 0, 1, 2, 3) and CX<sub>3</sub>H (X = F, Cl and Br): Substituent effect from a comparative study.
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- Canadian Journal of Chemistry, 2014, v. 92, n. 9, p. 868, doi. 10.1139/cjc-2014-0245
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Exploration of the α-effect by substitution on hydroxylamine anions. I. Effects of alkyl- and fluoroalkylation.
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- Canadian Journal of Chemistry, 2014, v. 92, n. 4, p. 346, doi. 10.1139/cjc-2013-0246
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Comprehensive definition of oxidation state (IUPAC Recommendations 2016).
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- Pure & Applied Chemistry, 2016, v. 88, n. 8, p. 831, doi. 10.1515/pac-2015-1204
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Molecular mechanics-based finite element analysis of graphene sheet and carbon nanotubes using the rebo potential.
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- International Journal of Modeling, Simulation & Scientific Computing, 2017, v. 8, n. 3, p. -1, doi. 10.1142/S1793962317500386
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Reactive Molecular Dynamics Simulations of Sodium Silicate Glasses - Toward an Improved Understanding of the Structure.
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- International Journal of Applied Glass Science, 2017, v. 8, n. 3, p. 276, doi. 10.1111/ijag.12248
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A Decade of Dinuclear Technetium Complexes with Multiple Metal-Metal Bonds.
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- European Journal of Inorganic Chemistry, 2014, v. 2014, n. 27, p. 4484, doi. 10.1002/ejic.201402340
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SCI: a robust and reliable density-based descriptor to determine multiple covalent bond orders.
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- Journal of Molecular Modeling, 2018, v. 24, n. 8, p. 1, doi. 10.1007/s00894-018-3721-9
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Does cation break the cyano bond? A critical evaluation of nitrile-cation interaction.
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- Journal of Molecular Modeling, 2014, v. 20, n. 5, p. 1, doi. 10.1007/s00894-014-2219-3
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Breakdown of universal Lindemann criterion in the melting of Lennard-Jones polydisperse solids.
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- Journal of Chemical Sciences, 2017, v. 129, n. 7, p. 833, doi. 10.1007/s12039-017-1245-y
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Automated simultaneous assignment of bond orders and formal charges.
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- Journal of Cheminformatics, 2019, v. 11, n. 1, p. 1, doi. 10.1186/s13321-019-0340-0
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Linear Response Function of Bond-Order.
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- International Journal of Molecular Sciences, 2016, v. 17, n. 11, p. 1779, doi. 10.3390/ijms17111779
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A Position-Space View on Chemical Bonding in Metal Diborides with AlB<sub>2</sub> Type of Crystal Structure.
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2013, v. 639, n. 11, p. 2025, doi. 10.1002/zaac.201200523
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AIM analysis and the form of the bond-valence equation.
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- American Mineralogist, 2015, v. 100, n. 1, p. 160, doi. 10.2138/am-2015-5037
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TENSILE STRENGTH OF GRAPHENE CONTAINING 5-8-5 DEFECTS.
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- Reviews on Advanced Materials Science, 2014, v. 37, n. 1/2, p. 105
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Bond Order Analysis, Packing Ratio, and Electronic Structures of Two Structural Polymorphs Based on Manganese Complexes.
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- Chinese Journal of Chemistry, 2017, v. 35, n. 6, p. 927, doi. 10.1002/cjoc.201600747
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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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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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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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Hybrid [5]Radialenes with Bispyrroloheteroles: New Electron-Donating Units.
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- Chemistry - A European Journal, 2015, v. 21, n. 38, p. 13375, doi. 10.1002/chem.201501822
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Factors Influencing the Regioselectivity of the Oxidation of Asymmetric Secondary Amines with Singlet Oxygen.
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- Chemistry - A European Journal, 2015, v. 21, n. 17, p. 6528, doi. 10.1002/chem.201500121
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A Family of Multiply Bonded Dimolybdenum Boraamidinates with the Formal Mo−Mo Bond Orders of 3, 4, 4.5, and 5.
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- Angewandte Chemie, 2016, v. 128, n. 38, p. 11786, doi. 10.1002/ange.201605543
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Triamidoamine-Uranium(IV)-Stabilized Terminal Parent Phosphide and Phosphinidene Complexes.
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- Angewandte Chemie, 2014, v. 126, n. 17, p. 4573, doi. 10.1002/ange.201400798
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Bond order redefinition needed to reduce inherent noise in molecular dynamics simulations.
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- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-020-80217-0
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Quantum Phase Diagram of One-Dimensional Spin and Hubbard Models with Transitions to Bond Order Wave Phases.
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- Croatica Chemica Acta, 2013, v. 86, n. 4, p. 407, doi. 10.5562/cca2324
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ADSORPTION MECHANISM AND STRUCTURAL INVESTIGATION OF DOPED C<sub>60</sub> FULLERENES WITH PENTYLAMINE.
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- Anadolu University of Sciences & Technology A: Applied Sciences & Engineering, 2017, v. 18, n. 2, p. 398, doi. 10.18038/aubtda.281646
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Donor-Stabilized 1,3-Disila-2,4-diazacyclobutadiene with a Nonbonded Si⋅⋅⋅Si Distance Compressed to a Si=Si Double Bond Length.
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- Angewandte Chemie International Edition, 2016, v. 55, n. 47, p. 14673, doi. 10.1002/anie.201608416
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Molecular Polyarsenides of the Rare-Earth Elements.
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- Angewandte Chemie International Edition, 2016, v. 55, n. 4, p. 1557, doi. 10.1002/anie.201509749
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