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Using the bond valence sum model to calculate Li-diffusion pathways in Silicene with MgX<sub>2</sub> (X=Cl, Br, I) substrates.
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- Modern Physics Letters B, 2024, v. 38, n. 20, p. 1, doi. 10.1142/S0217984924501719
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- Article
Comprehensive Dopant Screening in Li<sub>7</sub>La<sub>3</sub>Zr<sub>2</sub>O<sub>12</sub> Garnet Solid Electrolyte.
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- Advanced Energy Materials, 2024, v. 14, n. 20, p. 1, doi. 10.1002/aenm.202304025
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- Article
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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- Article
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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- Article
Synergistic Charge Transfer Effect in Ferrous Heme–CO Bonding within Cytochrome P450.
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- Molecules, 2024, v. 29, n. 4, p. 873, doi. 10.3390/molecules29040873
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- Article
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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- Article
Crystal Structural Characteristics and Electrical Properties of (Ba 0.7 Sr 0.3- x Ca x)(Ti 0.9 Zr 0.1)O 3 Ceramics Prepared Using the Citrate Gelation Method.
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- Materials (1996-1944), 2023, v. 16, n. 24, p. 7551, doi. 10.3390/ma16247551
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- Article
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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- Article
RESEARCH OF COMPLEXES OF GOSSYPOL DERIVATIVES.
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- Journal of Research in Pharmacy, 2023, v. 27, p. 59
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- Article
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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- Article
Self‐sacrificial Templated Synthesis of Fe/N Co‐doping TiO<sub>2</sub> for Enhanced CO<sub>2</sub> Photocatalytic Reduction.
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- ChemNanoMat, 2023, v. 9, n. 10, p. 1, doi. 10.1002/cnma.202300343
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- Article
Potential risk resulting from the influence of static magnetic field upon living organisms. Numerically simulated effects of the static magnetic field upon model complex lipids.
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- BioRisk: Biodiversity & Ecosystem Risk Assessment, 2023, n. 21, p. 1, doi. 10.3897/biorisk.19.96250
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- Article
High-Pressure Synthesis and Magnetic Property of a Novel Ferrimagnetic Quadruple Perovskite YM<sub>n3</sub>Co<sub>4</sub>O<sub>12</sub>.
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- Materials Transactions, 2023, v. 64, n. 9, p. 2105, doi. 10.2320/matertrans.MT-MG2022004
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- Article
Crystal structures of biocompatible Mg-, Zn-, and Co-whitlockites synthesized via one-step hydrothermal reaction.
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- Zeitschrift für Kristallographie. Crystalline Materials, 2023, v. 238, n. 9/10, p. 301, doi. 10.1515/zkri-2023-0016
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- Article
Flexible High-Performance and Screen-Printed Symmetric Supercapacitor Using Hierarchical Rodlike V 3 O 7 Inks.
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- Nanomaterials (2079-4991), 2023, v. 13, n. 16, p. 2282, doi. 10.3390/nano13162282
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- Article
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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- Article
Effects of Sintering Behavior, Structure, Packing Fraction, and Bond Valence on the Microwave Dielectric Properties of Low-Permittivity Na<sub>2</sub>Ba<sub>6</sub>Si<sub>4</sub>O<sub>15</sub> Ceramics.
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- Journal of Electronic Materials, 2023, v. 52, n. 8, p. 5440, doi. 10.1007/s11664-023-10489-5
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- Article
Alluaudite-Like Phases in the Na<sub>2</sub>MoO<sub>4</sub>–Cs<sub>2</sub>MoO<sub>4</sub>–NiMoO<sub>4</sub> System.
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- Journal of Structural Chemistry, 2023, v. 64, n. 8, p. 1542, doi. 10.1134/S0022476623080188
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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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- Article
Phase Compositions and Microwave Dielectric Properties of Na 1+x SrB 5 O 9+0.5x Ceramics.
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- Crystals (2073-4352), 2023, v. 13, n. 7, p. 1042, doi. 10.3390/cryst13071042
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- Article
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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- Article
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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- Article
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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- Article
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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- Article
K[(Cu<sup>II</sup>,Mn<sup>II</sup>,Mn<sup>III</sup>)<sub>2</sub>(TeO<sub>3</sub>)<sub>3</sub>]∙2H<sub>2</sub>O, the first zemannite-type structure based on a Jahn-Teller-distorted framework.
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- Mineralogy & Petrology, 2023, v. 117, n. 2, p. 133, doi. 10.1007/s00710-022-00808-9
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- Article
Quantum and experimental investigation of the application of Crassostrea gasar (mangrove oyster) shell–based CaO nanoparticles as adsorbent and photocatalyst for the removal of procaine penicillin from aqueous solution.
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- Environmental Science & Pollution Research, 2023, v. 30, n. 23, p. 64036, doi. 10.1007/s11356-023-26868-8
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- Article
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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- Article
Metal Template Synthesis of 'Broken' Aromatic Preorganized Terdentate Hosts for the Recognition of Lanthanide Tris‐β‐Diketonate Guests.
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- Helvetica Chimica Acta, 2023, v. 106, n. 5, p. 1, doi. 10.1002/hlca.202200190
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- Article
Mechanism for the Combined Li–Na Ionic Conductivity in Sugilite (Fe 2 Na 2 K[Li 3 Si 12 O 30 ])-Type Compounds.
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- Minerals (2075-163X), 2023, v. 13, n. 5, p. 620, doi. 10.3390/min13050620
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- Article
Implementation of molecular symmetry in valence bond calculation.
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- Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 341, doi. 10.1002/jccs.202200476
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- Article
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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- Article
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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- Article
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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- Article
原油中金刚烷同系物同分异构体丰度差异及影响机制 ——以塔里木盆地轮古地区为例.
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- Natural Gas Geoscience, 2022, v. 33, n. 12, p. 2087, doi. 10.11764/j.issn.1672-1926.2022.07.012
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- Article
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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- Article
Adhesion at friction and wear.
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- Friction (2223-7704), 2022, v. 10, n. 11, p. 1859, doi. 10.1007/s40544-021-0564-7
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- Article
New and refined bond valence parameters for Te<sup>4+</sup>–F<sup>−</sup>, Te<sup>4+</sup>–S<sup>2−</sup> and Te<sup>4+</sup>–Se<sup>2−</sup> ion pairs.
- Published in:
- Zeitschrift für Kristallographie. Crystalline Materials, 2022, v. 237, n. 10-12, p. 435, doi. 10.1515/zkri-2022-0042
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- Article
Cross-scale identification for friction and wear boundaries of tooth flank of high-feed milling cutter.
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- Advances in Mechanical Engineering (Sage Publications Inc.), 2022, v. 14, n. 10, p. 1, doi. 10.1177/16878132221129444
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- Article
Correction to: The roles of charge transfer and polarization in non-covalent interactions: a perspective from ab initio valence bond methods.
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- 2022
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- Correction Notice
A Cyclen-Functionalized Cobalt-Substituted Sandwich-Type Tungstoarsenate with Versatility in Removal of Methylene Blue and Anti-ROS-Sensitive Tumor Cells.
- Published in:
- Molecules, 2022, v. 27, n. 19, p. 6451, doi. 10.3390/molecules27196451
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- Article
The apparent difference in microwave dielectric properties of Ca<sub>3</sub>MZnGe<sub>3</sub>O<sub>12</sub> (M = Zr, Sn) garnets originating from compression and rattling effects.
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- Journal of Materials Science: Materials in Electronics, 2022, v. 33, n. 26, p. 21101, doi. 10.1007/s10854-022-08913-3
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- Article
On the Bonding Nature in the Crystalline Tri‐Thorium Cluster: Core‐Shell Syngenetic σ‐Aromaticity.
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- Angewandte Chemie, 2022, v. 134, n. 37, p. 1, doi. 10.1002/ange.202209658
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- Article
The roles of charge transfer and polarization in non-covalent interactions: a perspective from ab initio valence bond methods.
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- Journal of Molecular Modeling, 2022, v. 28, n. 9, p. 1, doi. 10.1007/s00894-022-05187-8
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- Article
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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- Article
The bond valence model as a prospective approach: examination of the crystal structures of copper chalcogenides with Cu bond valence excess.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2022, v. 78, n. 4, p. 627, doi. 10.1107/S2052520622006138
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- Article
Charge Distribution and Bond Valence Sum Analysis of Sulfosalts—The ECoN21 Computer Program.
- Published in:
- Minerals (2075-163X), 2022, v. 12, n. 8, p. 924, doi. 10.3390/min12080924
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- Article
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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- Article
Potential risk resulting from the influence of static magnetic field upon living organisms. Numerically simulated effects of the static magnetic field upon simple alkanols.
- Published in:
- BioRisk: Biodiversity & Ecosystem Risk Assessment, 2022, n. 18, p. 35, doi. 10.3897/biorisk.18.76997
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- Article
Anisotropic deconfined criticality in Dirac spin liquids.
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- Journal of High Energy Physics, 2022, v. 2022, n. 7, p. 1, doi. 10.1007/JHEP07(2022)141
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- Article
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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- Article