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AIM/NBO Analysis of the Geminal Coupling Constants in the Stabilization of A‐Type Dimeric Proanthocyanidin: Angular Dependence.
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- Magnetic Resonance in Chemistry, 2024, v. 62, n. 12, p. 825, doi. 10.1002/mrc.5479
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Persistent Room Temperature Phosphorescence from Triarylboranes: A Combined Experimental and Theoretical Study.
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- Angewandte Chemie, 2020, v. 132, n. 39, p. 17285, doi. 10.1002/ange.202007610
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- Article
Vacancy‐Rich Ni(OH)<sub>2</sub> Drives the Electrooxidation of Amino C−N Bonds to Nitrile C≡N Bonds.
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- Angewandte Chemie, 2020, v. 132, n. 39, p. 17122, doi. 10.1002/ange.202005574
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Reconciling Electrostatic and n→π* Orbital Contributions in Carbonyl Interactions.
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- Angewandte Chemie, 2020, v. 132, n. 34, p. 14710, doi. 10.1002/ange.202005739
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- Article
An Unprecedented Antimony(III) Borate with Strong Linear and Nonlinear Optical Responses.
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- Angewandte Chemie, 2020, v. 132, n. 20, p. 7867, doi. 10.1002/ange.202001042
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Lead Mixed Oxyhalides Satisfying All Fundamental Requirements for High‐Performance Mid‐Infrared Nonlinear Optical Materials.
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- Angewandte Chemie, 2020, v. 132, n. 19, p. 7584, doi. 10.1002/ange.202002291
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Formation and Characterization of a BeOBeC Multiple Radical Featuring a Quartet Carbyne Moiety.
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- Angewandte Chemie, 2020, v. 132, n. 17, p. 6990, doi. 10.1002/ange.202000910
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Realization of Lewis Basic Sodium Anion in the NaBH<sub>3</sub><sup>−</sup> Cluster.
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- Angewandte Chemie, 2019, v. 131, n. 39, p. 13927, doi. 10.1002/ange.201907089
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Asymmetric Catalytic [2,3] Stevens and Sommelet–Hauser Rearrangements of α‐Diazo Pyrazoleamides with Sulfides.
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- Angewandte Chemie, 2019, v. 131, n. 38, p. 13626, doi. 10.1002/ange.201907164
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Dibenzoarsepins: Planarization of 8π‐Electron System in the Lowest Singlet Excited State.
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- Angewandte Chemie, 2019, v. 131, n. 34, p. 11812, doi. 10.1002/ange.201904882
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- Article
An Acyclic Arsenium Cation Stabilised by a Single P–As π‐Interaction and a Cyclic Diphosphinophosphonium Salt.
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- Angewandte Chemie, 2019, v. 131, n. 32, p. 11123, doi. 10.1002/ange.201905922
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Atypical Lone Pair–π Interaction with Quinone Methides in a Series of Imido‐Ferrociphenol Anticancer Drug Candidates.
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- Angewandte Chemie, 2019, v. 131, n. 25, p. 8509, doi. 10.1002/ange.201902456
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A new phosphorothioic triamide structure: P(S)[NHCH<sub>2</sub>C<sub>6</sub>H<sub>5</sub>]<sub>3</sub>.
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- Acta Crystallographica Section C: Structural Chemistry, 2015, v. 71, n. 4, p. 338, doi. 10.1107/S2053229615004453
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Investigation of Some Physico-Chemical Properties in Multi-Component Se-Te-Sn-Sb (0 ≤ x ≤ 6) Quaternary Chalcogenide Glassy System.
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- Glass Physics & Chemistry, 2018, v. 44, n. 6, p. 542, doi. 10.1134/S1087659619010073
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Chemische Bindungen experimentell sichtbar machen.
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- Chemkon - Chemie Konkret, 2020, v. 27, n. 6, p. 275, doi. 10.1002/ckon.202080601
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The Origin of Ultralow Thermal Conductivity in InTe: Lone-Pair-Induced Anharmonic Rattling.
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- Angewandte Chemie International Edition, 2016, v. 55, n. 27, p. 7792, doi. 10.1002/anie.201511737
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Two-Orbital Three-Electron Stabilizing Interaction for Direct Co<sup>2+</sup>As<sup>3+</sup> Bonds involving Square-Planar CoO<sub>4</sub> in BaCoAs<sub>2</sub>O<sub>5</sub>.
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- Angewandte Chemie International Edition, 2014, v. 53, n. 12, p. 3111, doi. 10.1002/anie.201311183
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The Enabling Electronic Motif for Topological Insulation in ABO<sub>3</sub> Perovskites.
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- Advanced Functional Materials, 2017, v. 27, n. 37, p. n/a, doi. 10.1002/adfm.201701266
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From Bonding Asymmetry to Anharmonic Rattling in Cu<sub>12</sub>Sb<sub>4</sub>S<sub>13</sub> Tetrahedrites: When Lone-Pair Electrons Are Not So Lonely.
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- Advanced Functional Materials, 2015, v. 25, n. 24, p. 3648, doi. 10.1002/adfm.201500766
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Thermoelectrics: From Bonding Asymmetry to Anharmonic Rattling in Cu<sub>12</sub>Sb<sub>4</sub>S<sub>13</sub> Tetrahedrites: When Lone-Pair Electrons Are Not So Lonely (Adv. Funct. Mater. 24/2015).
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- Advanced Functional Materials, 2015, v. 25, n. 24, p. 3618, doi. 10.1002/adfm.201570159
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Electrochemical synthesis of thin-layered graphene oxide-poly(CTAB) composite for detection of morphine.
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- Journal of Applied Electrochemistry, 2020, v. 50, n. 1, p. 41, doi. 10.1007/s10800-019-01367-2
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The Lone Pair Electrons in Post-Transition Metal and Their Contribution to Optical Response.
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- Journal of Xinjiang University (Natural Science Edition), 2024, v. 41, n. 5, p. 579, doi. 10.13568/j.cnki.651094.651316.2023.10.10.0003
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A re‐interpretation of the structure of the silver borate, Ag<sub>16</sub>B<sub>4</sub>O<sub>10</sub>, in the light of the extended Zintl–Klemm concept.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2020, v. 76, n. 5, p. 865, doi. 10.1107/S2052520620010513
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Analysis of charge density in nonaaquagadolinium(III) trifluoromethanesulfonate – insight into Gd<sup>III</sup>—OH<sub>2</sub> bonding.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2020, v. 76, n. 4, p. 572, doi. 10.1107/S2052520620006903
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σ‐Hole interactions in small‐molecule compounds containing divalent sulfur groups R<sub>1</sub>—S—R<sub>2</sub>.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2020, v. 76, n. 4, p. 707, doi. 10.1107/S2052520620008598
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Intra‐ and intermolecular interactions in a series of chlorido‐tricarbonyl‐diazabutadienerhenium(I) complexes: structural and theoretical studies.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2020, v. 76, n. 3, p. 417, doi. 10.1107/S2052520620004333
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The crystal structure of the first synthetic copper(II) tellurite arsenate, Cu<sup>II</sup><sub>5</sub>(Te<sup>IV</sup>O<sub>3</sub>)<sub>2</sub>(As<sup>V</sup>O<sub>4</sub>)<sub>2</sub>.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2020, v. 76, n. 1, p. 1, doi. 10.1107/S2052520619014823
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Harmine derivatives: a comprehensive quantum chemical investigation of the structural, electronic (FMO, NBO, and MEP), and spectroscopic (FT-IR and UV–Vis) properties.
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- Research on Chemical Intermediates, 2020, v. 46, n. 1, p. 961, doi. 10.1007/s11164-019-04020-x
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Single Cobalt Atom Anchored Black Phosphorous Nanosheets as an Effective Cocatalyst Promotes Photocatalysis.
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- ChemCatChem, 2020, v. 12, n. 15, p. 3870, doi. 10.1002/cctc.202000546
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DFT and molecular docking studies of self-assembly of sulfone analogues and graphene.
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- Journal of Molecular Modeling, 2020, v. 26, n. 10, p. 1, doi. 10.1007/s00894-020-04546-7
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A theoretical study of chemical bonding and topological and electrostatic properties of the anti-leprosy drug dapsone.
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- Journal of Molecular Modeling, 2020, v. 26, n. 6, p. 1, doi. 10.1007/s00894-020-04393-6
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Towards an unified chemical model of secondary bonding.
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- Journal of Molecular Modeling, 2020, v. 26, n. 3, p. 1, doi. 10.1007/s00894-019-4283-1
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Strategy for chemically riveting catenated nitrogen chains.
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- Journal of Molecular Modeling, 2019, v. 25, n. 12, p. 1, doi. 10.1007/s00894-019-4228-8
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Triel bonds in RZH<sub>2</sub>···NH<sub>3</sub>: hybridization, solvation, and substitution.
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- Journal of Molecular Modeling, 2019, v. 25, n. 8, p. N.PAG, doi. 10.1007/s00894-019-4089-1
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On the ability of pnicogen atoms to engage in both σ and π-hole complexes. Heterodimers of ZF<sub>2</sub>C<sub>6</sub>H<sub>5</sub> (Z = P, As, Sb, Bi) and NH<sub>3</sub>.
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- Journal of Molecular Modeling, 2019, v. 25, n. 6, p. N.PAG, doi. 10.1007/s00894-019-4031-6
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σ-Holes and Si···N intramolecular interactions.
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- Journal of Molecular Modeling, 2019, v. 25, n. 4, p. N.PAG, doi. 10.1007/s00894-019-3962-2
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Water-Water and Water-Solute Interactions in Microsolvated Organic Complexes.
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- Angewandte Chemie, 2015, v. 127, n. 3, p. 993, doi. 10.1002/ange.201409057
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Search for a Strong, Virtually 'No-Shift' Hydrogen Bond: A Cage Molecule with an Exceptional OH⋅⋅⋅F Interaction.
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- Angewandte Chemie, 2014, v. 126, n. 34, p. 9070, doi. 10.1002/ange.201403599
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Group II Metal Complexes of the Germylidendiide Dianion Radical and Germylidenide Anion.
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- Angewandte Chemie, 2014, v. 126, n. 32, p. 8595, doi. 10.1002/ange.201404357
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Lone-Pair⋅⋅⋅π Interaction: A Rotational Study of the Chlorotrifluoroethylene-Water Adduct.
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- Angewandte Chemie, 2013, v. 125, n. 45, p. 12104, doi. 10.1002/ange.201306827
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Initial quantum levels of captured muons in CO, CO<sub>2</sub>, and COS.
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- Journal of Radioanalytical & Nuclear Chemistry, 2019, v. 320, n. 2, p. 283, doi. 10.1007/s10967-019-06470-4
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Counterintuitive deshielding on the <sup>13</sup>C NMR chemical shift for the trifluoromethyl anion.
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- Magnetic Resonance in Chemistry, 2020, v. 58, n. 6, p. 540, doi. 10.1002/mrc.4958
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On the heavy atom on light atom relativistic effect in the NMR shielding constants of phosphine tellurides.
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- Magnetic Resonance in Chemistry, 2019, v. 57, n. 12, p. 1071, doi. 10.1002/mrc.4889
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Influence of stereoelectronic effects on the <sup>1</sup>J<sub>C─F</sub> spin–spin coupling constant in fluorinated heterocyclic compounds.
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- Magnetic Resonance in Chemistry, 2019, v. 57, n. 7, p. 373, doi. 10.1002/mrc.4854
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Competition between lone pair-π, halogen-π and triel bonding interactions involving BX (X = F, Cl, Br and I) compounds: an ab initio study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2017, v. 136, n. 3, p. 1, doi. 10.1007/s00214-017-2068-0
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The Nature of Halogen Dependence of 103Rh NMR Chemical Shift in Complex Anions cis-[X1X2Rh(CO)2]− (X1, X2 = Cl, Br, I).
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- Journal of Structural Chemistry, 2019, v. 60, n. 11, p. 1750, doi. 10.1134/S0022476619110076
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Three-Center Bonds in closo-Sb2Sn10 Clusters.
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- Russian Journal of General Chemistry, 2020, v. 90, n. 5, p. 877, doi. 10.1134/S1070363220050205
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Effect of (SbS) addition on the physical properties of quaternary (CdTe)100-x(SbS)x (0 ≤ x ≤ 28 at. %) glasses and band gap engineering.
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- Applied Physics A: Materials Science & Processing, 2020, v. 126, n. 7, p. 1, doi. 10.1007/s00339-020-03703-2
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Local structure and electrical switching in Al20Te75X5 (X = Si, Ge, As, Sb) glasses.
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- Applied Physics A: Materials Science & Processing, 2020, v. 126, n. 4, p. 1, doi. 10.1007/s00339-020-03471-z
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Front Cover: Through‐Space "α‐Effect" between the Bridging Oxygen Atoms in Diepoxybenzo[de]isothiochromene Derivatives (Eur. J. Org. Chem. 2/2020).
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- European Journal of Organic Chemistry, 2020, v. 2020, n. 2, p. 145, doi. 10.1002/ejoc.201901761
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- Article