Works matching DE "VALENCE bonds"
Results: 198
Solvent Effect on Dative and Ionic Bond Strengths: A Unified Theory from Potential Analysis and Valence‐Bond Computations.
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- Chemistry - A European Journal, 2024, v. 30, n. 53, p. 1, doi. 10.1002/chem.202402008
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Pressure‐Assisted Synthesis of Highly Crystalline 1T′′‐Li<sub>x</sub>MoS<sub>2</sub>.
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- Chemistry - A European Journal, 2024, v. 30, n. 5, p. 1, doi. 10.1002/chem.202302565
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The Challenging World of Simple Inorganic Rings: Revisiting Roesky's Ketone and Roesky's Sulfoxide.
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- Chemistry - A European Journal, 2023, v. 29, n. 67, p. 1, doi. 10.1002/chem.202302449
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High‐Pressure and High‐Temperature Dion–Jacobson Layered Perovskite Polymorphs of KWO<sub>3</sub>F.
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- Chemistry - A European Journal, 2023, v. 29, n. 43, p. 1, doi. 10.1002/chem.202301098
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Dichotomy of Delocalization/Localization and Charge‐Shift Bonding in Germanazene and its Heavier Group 14 Analogues: a Valence Bond Study.
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- Chemistry - A European Journal, 2023, v. 29, n. 36, p. 1, doi. 10.1002/chem.202300992
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Orbital Nature of Carboionic Monoradicals Made from Diradicals.
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- Chemistry - A European Journal, 2023, v. 29, n. 27, p. 1, doi. 10.1002/chem.202300388
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Preorganized Polyaromatic Soft Terdentate Hosts for the Capture of [Ln(β‐diketonate)<sub>3</sub>] Guests in Solution.
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- Chemistry - A European Journal, 2023, v. 29, n. 10, p. 1, doi. 10.1002/chem.202202727
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A Computational Framework to Accelerate the Discovery of Perovskites for Solar Thermochemical Hydrogen Production: Identification of Gd Perovskite Oxide Redox Mediators.
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- Advanced Functional Materials, 2022, v. 32, n. 25, p. 1, doi. 10.1002/adfm.202200201
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A Database of Ionic Transport Characteristics for Over 29 000 Inorganic Compounds.
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- Advanced Functional Materials, 2020, v. 30, n. 35, p. 1, doi. 10.1002/adfm.202003087
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Evolution of Local Structural Ordering and Chemical Distribution upon Delithiation of a Rock Salt–Structured Li<sub>1.3</sub>Ta<sub>0.3</sub>Mn<sub>0.4</sub>O<sub>2</sub> Cathode.
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- Advanced Functional Materials, 2019, v. 29, n. 17, p. N.PAG, doi. 10.1002/adfm.201808294
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Applying the Jellium model to octacarbonyl metal complexes.
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- Communications Chemistry, 2020, v. 3, n. 1, p. 1, doi. 10.1038/s42004-020-0285-2
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Visualisation of Electronic Excited‐State Correlation in Real Space.
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- ChemPhotoChem, 2019, v. 3, n. 9, p. 702, doi. 10.1002/cptc.201900014
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Probing resonating valence bonds on a programmable germanium quantum simulator.
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- NPJ Quantum Information, 2023, v. 9, n. 1, p. 1, doi. 10.1038/s41534-023-00727-3
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unified superatomic-molecule theory for local aromaticity in π-conjugated systems.
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- National Science Review, 2023, v. 10, n. 3, p. 1, doi. 10.1093/nsr/nwac216
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Topological Many-Body States in Quantum Antiferromagnets via Fuzzy Supergeometry.
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- Symmetry (20738994), 2013, v. 5, n. 2, p. 119, doi. 10.3390/sym5020119
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Correlation between Si-Al disorder and hydrogen-bonding distance variation in ussingite (Na<sub>2</sub>AlSi<sub>3</sub>O<sub>8</sub>OH) revealed by one- and two-dimensional multi-nuclear NMR and first-principles calculation.
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- American Mineralogist, 2024, v. 109, n. 5, p. 858, doi. 10.2138/am-2023-9008
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Mineral and crystal chemical study of pseudo-C2/m non-metamict chevkinite-(Ce): An investigation into the intracrystalline distribution of LREE, HREE, and octahedral cations in samples from the Azores and Pakistan.
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- American Mineralogist, 2024, v. 109, n. 5, p. 896, doi. 10.2138/am-2022-8658
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Cation partitioning among crystallographic sites based on bond-length constraints in tourmaline-supergroup minerals.
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- American Mineralogist, 2021, v. 106, n. 6, p. 851, doi. 10.2138/am-2021-7804
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Bond valence and bond energy.
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- American Mineralogist, 2017, v. 102, n. 4, p. 804, doi. 10.2138/am-2017-5938
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The valence quadrupole moment.
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- American Mineralogist, 2016, v. 101, n. 2, p. 362, doi. 10.2138/am-2016-5304
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On understanding the structure and composition of crystals.
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- American Mineralogist, 2015, v. 100, n. 11/12, p. 2365, doi. 10.2138/am-2015-5391
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The use of cation-cation and anion-anion bonds to augment the bond-valence model.
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- American Mineralogist, 2015, v. 100, n. 1, p. 148, doi. 10.2138/am-2015-4810
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Highlights and Breakthroughs. A step closer to predicting the bonding geometry of crystals.
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- American Mineralogist, 2013, v. 98, n. 7, p. 1093, doi. 10.2138/am.2013.4514
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Synthesis, crystal structure and alkaline pathways simulation of K<sub>3</sub>Na(Mo<sub>0.67</sub>Cr<sub>0.33</sub>O<sub>4</sub>)<sub>2</sub> adopting glaserite structure-type.
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- Journal of the Iranian Chemical Society, 2023, v. 20, n. 3, p. 751, doi. 10.1007/s13738-022-02715-4
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Hydride Abstraction as the Rate-Limiting Step of the Irreversible Inhibition of Monoamine Oxidase B by Rasagiline and Selegiline: A Computational Empirical Valence Bond Study.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 17, p. 6151, doi. 10.3390/ijms21176151
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Chemical Bonding: The Orthogonal Valence-Bond View.
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- International Journal of Molecular Sciences, 2015, v. 16, n. 4, p. 8896, doi. 10.3390/ijms16048896
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Puzzles in bonding and spectroscopy: the case of dicarbon.
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- Science Progress, 2016, v. 99, n. 1, p. 1, doi. 10.3184/003685016X14509452393033
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High‐Entropy Cs(Pb<sub>1/3</sub>Mn<sub>1/3</sub>Ni<sub>1/3</sub>)Br<sub>3</sub> Perovskite Nanocrystals Prepared by High Energy Ball Milling and their Luminescence Properties.
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- Particle & Particle Systems Characterization, 2022, v. 39, n. 9, p. 1, doi. 10.1002/ppsc.202200073
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Theoretical and experimental developments in quantum spin liquid in geometrically frustrated magnets: a review.
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- Journal of Materials Science, 2020, v. 55, n. 6, p. 2257, doi. 10.1007/s10853-019-04128-w
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Synthesis, Single‐Crystal Structure, Dielectric Properties of a New Phosphate K<sub>3</sub>Bi<sub>6.5</sub>(PO<sub>4</sub>)<sub>7.5</sub>.
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- Crystal Research & Technology, 2021, v. 56, n. 5, p. 1, doi. 10.1002/crat.202000228
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Valence bond glass state in the 4d<sup>1</sup> fcc antiferromagnet Ba<sub>2</sub>LuMoO<sub>6</sub>.
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- NPJ Quantum Materials, 2022, v. 7, n. 1, p. 1, doi. 10.1038/s41535-022-00480-4
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A Nanoscale Cobalt Functionalized Strandberg-Type Phosphomolybdate with β -Sheet Conformation Modulation Ability in Anti-Amyloid Protein Misfolding.
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- Inorganics, 2023, v. 11, n. 11, p. 442, doi. 10.3390/inorganics11110442
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Chemical Bonding in the C 2 Molecule.
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- Inorganics, 2023, v. 11, n. 6, p. 245, doi. 10.3390/inorganics11060245
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On the Edge Metric Dimension of Certain Polyphenyl Chains.
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- Journal of Chemistry, 2021, p. 1, doi. 10.1155/2021/3855172
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Network-forming oxides with non-centrosymmetric structural groups - diffraction results on molybdate and tellurite glasses.
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- Physics & Chemistry of Glasses: European Journal of Glass Science & Technology Part B, 2022, v. 63, n. 6, p. 161, doi. 10.13036/17533562.63.6.13
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A bond topological approach to borate minerals: A brief review.
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- Physics & Chemistry of Glasses: European Journal of Glass Science & Technology Part B, 2018, v. 59, n. 3, p. 121, doi. 10.13036/17533562.59.3.023
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Real space electron delocalization, resonance, and aromaticity in chemistry.
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- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-25091-8
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- Article
Novel Co<sub>5</sub> Cluster Based Triazole Bridged Cobalt‐Fluorophosphate: Synthesis, Structure, Magnetic and Heterogeneous Catalytic Epoxidation Studies.
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- European Journal of Inorganic Chemistry, 2023, v. 26, n. 21, p. 1, doi. 10.1002/ejic.202300123
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Calculation of Energy Diagram of Asymmetric Graded-Band-Gap Semiconductor Superlattices.
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- Nanoscale Research Letters, 2017, v. 12, n. 1, p. 1, doi. 10.1186/s11671-017-1981-4
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Isotope Effect of Underdoped Cuprates in the Yang-Rice-Zhang Model.
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- Journal of Superconductivity & Novel Magnetism, 2015, v. 28, n. 7, p. 1985, doi. 10.1007/s10948-014-2931-3
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Multireference Configuration Interaction Methods - An Application to the Valence Isomerism in Cyclobutadieno-p-benzoquinone and its Diprotonated Form.
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- Croatica Chemica Acta, 2015, v. 88, n. 4, p. 495, doi. 10.5562/cca2770
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Nematicity and quantum paramagnetism in FeSe.
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- Nature Physics, 2015, v. 11, n. 11, p. 959, doi. 10.1038/nphys3456
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Spin-disordered quantum phases in a quasi-one-dimensional triangular lattice.
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- Nature Physics, 2015, v. 11, n. 8, p. 679, doi. 10.1038/nphys3359
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Liquids more stable than crystals in particles with limited valence and flexible bonds.
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- Nature Physics, 2013, v. 9, n. 9, p. 554, doi. 10.1038/nphys2693
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Athlete Social Support Network Modeling Based on Modern Valence Bond Theory.
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- Complexity, 2020, p. 1, doi. 10.1155/2020/4392975
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A commentary on Weisberg's critique of the 'structural conception' of chemical bonding.
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- Foundations of Chemistry, 2023, v. 25, n. 2, p. 253, doi. 10.1007/s10698-022-09454-7
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Enhancing ceria slurry performance for shallow trench isolation chemical mechanical polishing through non-ionic surfactant addition.
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- International Journal of Advanced Manufacturing Technology, 2023, v. 128, n. 11/12, p. 4997, doi. 10.1007/s00170-023-12254-8
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A <sup>119</sup>Sn Mössbauer-spectroscopic characterization of the diamagnetic birefringence material Sn<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl.
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- Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2019, v. 74, n. 11/12, p. 879, doi. 10.1515/znb-2019-0173
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A <sup>119</sup>Sn Mössbauer-spectroscopic characterization of the diamagnetic birefringence material Sn<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl.
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- Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2019, p. 879, doi. 10.1515/znb-2019-0173
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- Article
Crystal chemistry of K-tourmalines from the Kumdy-Kol microdiamond deposit, Kokchetav Massif, Kazakhstan.
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- European Journal of Minerology, 2024, v. 36, n. 5, p. 797, doi. 10.5194/ejm-36-797-2024
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