Works matching Electronegativity
Results: 2115
Theorems and rules connecting bond energy and bond order with electronegativity equalization and hardness maximization.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 3, p. 1, doi. 10.1007/s00214-020-2569-0
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- Article
The electronegativity scale of Allred and Rochow: revisited.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 124, n. 3/4, p. 295, doi. 10.1007/s00214-009-0610-4
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- Article
Computation of atomic electronegativity values using atomic and covalent potential: a FSGO based study.
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- Journal of Mathematical Chemistry, 2022, v. 60, n. 8, p. 1505, doi. 10.1007/s10910-022-01376-1
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- Article
Comparative analysis of the electronic structure and electronegativity of groups of unbranched ethers of sulphoxylate acid.
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- Journal of Structural Chemistry, 2015, v. 56, n. 1, p. 22, doi. 10.1134/S0022476615010047
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- Article
Using the centre-of-mass of localized electron pairs to quantify electronegativity.
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- Canadian Journal of Chemistry, 2016, v. 94, n. 12, p. 1077, doi. 10.1139/cjc-2016-0291
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- Article
Is hydrogen electronegativity higher than Pauling's value? New clues from the <sup>13</sup>C and <sup>29</sup>Si NMR chemical shifts of [CHF<sub>3</sub>] and [SiHF<sub>3</sub>] molecules.
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- Pure & Applied Chemistry, 2019, v. 91, n. 10, p. 1679, doi. 10.1515/pac-2019-0202
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- Article
Self-consistent methods constrained to a fixed number of particles in a given fragment and its relation to the electronegativity equalization method.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 6, p. 1, doi. 10.1007/s00214-012-1227-6
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- Article
On the electronegativity nonlocality paradox.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 2, p. 371, doi. 10.1007/s00214-007-0277-7
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- Article
Combined LDL and VLDL Electronegativity Correlates with Coronary Heart Disease Risk in Asymptomatic Individuals.
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- Journal of Clinical Medicine, 2019, v. 8, n. 8, p. 1193, doi. 10.3390/jcm8081193
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- Article
On Hardness and Electronegativity Equalization in Chemical Reactivity Theory.
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- Journal of Statistical Physics, 2006, v. 125, n. 5/6, p. 1121, doi. 10.1007/s10955-006-9031-0
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- Article
Electronegativity provides the relationship between formal charge, oxidation state, and actual charge.
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- Foundations of Chemistry, 2023, v. 25, n. 1, p. 5, doi. 10.1007/s10698-022-09447-6
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- Article
A scale of atomic electronegativity in terms of atomic nucleophilicity index.
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- Foundations of Chemistry, 2020, v. 22, n. 2, p. 335, doi. 10.1007/s10698-020-09358-4
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- Article
Electronegativity and its multiple faces: persistence and measurement.
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- Foundations of Chemistry, 2017, v. 19, n. 1, p. 61, doi. 10.1007/s10698-017-9278-3
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- Article
Concerning electronegativity as a basic elemental property and why the periodic table is usually represented in its medium form.
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- Foundations of Chemistry, 2013, v. 15, n. 1, p. 13, doi. 10.1007/s10698-012-9151-3
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- Article
Enhancement of bromide ion conductivity in lanthanum oxybromide based solids by doping divalent zinc ion with high electronegativity.
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- Journal of Asian Ceramic Societies, 2020, v. 8, n. 3, p. 925, doi. 10.1080/21870764.2020.1793877
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- Article
Unveiling the atomic‐electronegativity‐dependent ESIPT behavior for 4′‐dimethylamino‐flavonol chemosensor.
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- Journal of the Chinese Chemical Society, 2023, v. 70, n. 9, p. 1715, doi. 10.1002/jccs.202300142
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- Article
Theoretical investigation into the deciphering effects of atomic electronegativity on 2‐hydroxy‐phenyl‐tafamidis: A time‐dependent density functional theory study.
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- Journal of the Chinese Chemical Society, 2022, v. 69, n. 9, p. 1578, doi. 10.1002/jccs.202200255
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- Article
Electronegativity—a perspective.
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- Journal of Molecular Modeling, 2018, v. 24, n. 8, p. 1, doi. 10.1007/s00894-018-3740-6
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- Article
Modulating Electron Density of Boron–Oxygen Groups in Borate via Metal Electronegativity for Propane Oxidative Dehydrogenation.
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- Materials (1996-1944), 2024, v. 17, n. 12, p. 2868, doi. 10.3390/ma17122868
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- Article
High-Throughput Screening of High-Performance Thermoelectric Materials with Gibbs Free Energy and Electronegativity.
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- Materials (1996-1944), 2023, v. 16, n. 15, p. 5399, doi. 10.3390/ma16155399
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- Article
Effects of Electronegativity and Hydration Energy on the Selective Adsorption of Heavy Metal Ions by Synthetic NaX Zeolite.
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- Materials (1996-1944), 2021, v. 14, n. 15, p. 4066, doi. 10.3390/ma14154066
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- Article
Software news and updates electronegativity equalization method: Parameterization and validation for organic molecules using the Merz-Kollman-Singh charge distribution scheme.
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- Journal of Computational Chemistry, 2009, v. 30, n. 7, p. 1174, doi. 10.1002/jcc.21142
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- Article
On the Electrophilic Character of Molecules Through Its Relation with Electronegativity and Chemical Hardness.
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- International Journal of Molecular Sciences, 2012, v. 13, n. 2, p. 2160, doi. 10.3390/ijms13022160
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- Article
Computational Insights into Excited State Intramolecular Double Proton Transfer Behavior Associated with Atomic Electronegativity for Bis(2′-benzothiazolyl)hydroquinone.
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- Molecules, 2023, v. 28, n. 16, p. 5951, doi. 10.3390/molecules28165951
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- Article
Electronegativity under Confinement.
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- Molecules, 2021, v. 26, n. 22, p. 6924, doi. 10.3390/molecules26226924
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- Article
From Electronegativity towards Reactivity—Searching for a Measure of Atomic Reactivity.
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- Molecules, 2021, v. 26, n. 12, p. 3680, doi. 10.3390/molecules26123680
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- Article
Theorem on rates of alignment of electronegativities of atoms in the process of formation of a chemical bond in a binary molecule.
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- Journal of Mathematical Chemistry, 2024, v. 62, n. 9, p. 2326, doi. 10.1007/s10910-024-01655-z
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- Article
Atomic electronegativity based on hardness and floating spherical gaussian orbital approach.
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- Journal of Mathematical Chemistry, 2022, v. 60, n. 2, p. 360, doi. 10.1007/s10910-021-01306-7
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- Article
Effects of electronegativities and charge delocalization on Q<sup>2</sup> Raman shifts of alkaline- and alkaline earth-bearing glasses and metasilicate crystals.
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- American Mineralogist, 2022, v. 107, n. 11, p. 2044, doi. 10.2138/am-2022-8172
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- Article
Electronegativity and magnetic correlation in Cr-, Mn-, Co- and Ni-doped LiMgP half-Heusler as promised ferromagnetism material: A DFT study.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2023, v. 37, n. 23, p. 1, doi. 10.1142/S0217979223502260
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- Article
Inductive effect of uncharged groups: dependence on electronegativity.
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- Journal of Physical Organic Chemistry, 2006, v. 19, n. 7, p. 393, doi. 10.1002/poc.1093
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- Article
Topological instability and electronegativity effects on the glass-forming ability of metallic alloys.
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- Philosophical Magazine Letters, 2008, v. 88, n. 11, p. 785, doi. 10.1080/09500830802375622
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- Article
Systematic formulations for electronegativity and hardness and their atomic scales within density functional softness theory.
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- International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 361, doi. 10.1002/qua.20787
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- Article
Effects of the Electronegativity of Second Row Elements on Their Bonding to Boron.
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- American Journal of Undergraduate Research, 2016, v. 13, n. 3, p. 5, doi. 10.33697/ajur.2016.022
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- Article
Electronegativity Induced d‐Band Center Offset for Pt‐Rh Dual Sites in High‐Entropy Alloy Boosts Liquid Fuels Electrooxidation.
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- Advanced Energy Materials, 2024, v. 14, n. 20, p. 1, doi. 10.1002/aenm.202304515
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- Article
Interatomic Electronegativity Offset Dictates Selectivity When Catalyzing the CO<sub>2</sub> Reduction Reaction.
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- Advanced Energy Materials, 2022, v. 12, n. 26, p. 1, doi. 10.1002/aenm.202200579
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- Article
Solid‐state electronegativity of atoms: new approaches.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2021, v. 77, n. 4, p. 495, doi. 10.1107/S2052520621004704
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- Article
More Electropositive is More Electronegative: Atom Size Determines C=X Group Electronegativity.
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- Chemistry - A European Journal, 2024, v. 30, n. 15, p. 1, doi. 10.1002/chem.202304161
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- Article
Synthesis Design of Electronegativity Dependent WO 3 and WO 3 ∙0.33H 2 O Materials for a Better Understanding of TiO 2 /WO 3 Composites' Photocatalytic Activity.
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- Catalysts (2073-4344), 2021, v. 11, n. 7, p. 779, doi. 10.3390/catal11070779
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- Article
Linear correlation between electronegativity and adsorption energy of hydrated metal ions by carboxyl-functionalized single-walled carbon nanotubes.
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- Journal of Nanoparticle Research, 2023, v. 25, n. 4, p. 1, doi. 10.1007/s11051-023-05722-5
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- Article
Relating screening to atomic properties and electronegativity in the Slater atom.
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- Foundations of Chemistry, 2024, v. 26, n. 1, p. 89, doi. 10.1007/s10698-023-09492-9
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- Article
Incompatible models in chemistry: the case of electronegativity.
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- Foundations of Chemistry, 2019, v. 21, n. 1, p. 71, doi. 10.1007/s10698-018-09328-x
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On the use of electronegativity and electron affinity based pseudo‐molecular field descriptors in developing correlations for quantitative structure‐activity relationship modeling of drug activities.
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- Chemical Biology & Drug Design, 2021, v. 98, n. 2, p. 258, doi. 10.1111/cbdd.13895
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- Article
Boyd Group Electronegativity Influence on the Parr Global Electrophilicity of Vilsmeier Reagent-Derived Imidates: New Insights toward Improving Mitsunobu Chemistry.
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- Helvetica Chimica Acta, 2015, v. 98, n. 4, p. 582, doi. 10.1002/hlca.201400340
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Qualitative Analysis of Tolerance Factor, Electronegativity and Chemical Bonding of Some Ferroelectric Perovskites Through MOT.
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- Ferroelectrics, 2005, v. 315, n. 1, p. 91, doi. 10.1080/00150190590933050
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- Article
Energy Electronegativity and Chemical Bonding.
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- Molecules, 2022, v. 27, n. 23, p. 8215, doi. 10.3390/molecules27238215
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- Article
Peculiarities of the dependences of the dielectric properties of solid solutions of multicomponent systems on the electronegativity of their constituent cations.
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- Journal of Advanced Dielectrics, 2022, v. 12, n. 4, p. 1, doi. 10.1142/S2010135X22440040
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- Article
Electronegativity difference as a factor for evaluating the thermal stability of Al-rich metallic glasses.
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- Philosophical Magazine Letters, 2008, v. 88, n. 12, p. 917, doi. 10.1080/09500830802526596
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LDL electronegativity index: a potential novel index for predicting cardiovascular disease.
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- 2015
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- journal article
Calculation of impurity energy levels of transition metal ions in inorganic crystals based on electronegativity.
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- Materials Research Innovations, 2013, v. 17, n. 4, p. 218, doi. 10.1179/1433075X12Y.0000000050
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- Article