Works matching DE "NONBONDING electron pairs"
Results: 144
Single‐Bonded Cubic AsN from High‐Pressure and High‐Temperature Chemical Reactivity of Arsenic and Nitrogen.
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- Angewandte Chemie, 2022, v. 134, n. 6, p. 1, doi. 10.1002/ange.202114191
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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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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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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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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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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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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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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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Varied roles of Pb in transition-metal PbMO3 perovskites (M = Ti, V, Cr, Mn, Fe, Ni, Ru).
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- Science & Technology of Advanced Materials, 2015, v. 16, n. 3, p. 1, doi. 10.1088/1468-6996/16/3/036003
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One‐Pot Fabrication of Crumpled N‐Doped Graphene Anchored with Cobalt for High‐Performance Lithium–Sulfur Batteries.
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- ChemElectroChem, 2020, v. 7, n. 7, p. 1733, doi. 10.1002/celc.202000182
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Enhanced adsorption and removal of Cd(II) from aqueous solution by amino-functionalized ZIF-8.
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- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-59982-9
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An ab initio study of some hydrogen-bonded complexes of chloroform and bromoform: red-shifted or blue-shifted hydrogen bonds?
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 7, p. 1, doi. 10.1007/s00214-020-02625-9
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A heuristic estimate of molecular correlation energies using pair correlation energies of localized molecular orbitals.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 3, p. 1, doi. 10.1007/s00214-019-2422-5
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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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Study of glass-forming ability and structural rigidity of Zn-modified (GeTe)<sub>x</sub>(Sb<sub>2</sub>Te<sub>3</sub>)<sub>100−x</sub> chalcogenide glassy alloys.
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- Phase Transitions, 2020, v. 93, n. 1, p. 183, doi. 10.1080/01411594.2019.1679367
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STUDY OF AGGREGATION BEHAVIOR AND ELECTRON INJECTION PROCESS OF THIOL SUBSTITUTED Zn- PHTHALOCYANINE DERIVATIVE ON TIO2 NANOPARTICLE SURFACE.
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- Rasayan Journal of Chemistry, 2019, v. 12, n. 2, p. 571, doi. 10.31788/RJC.2019.1225003
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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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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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On the Possible Coordination on a 3MC State Itself? Mechanistic Investigation Using DFT-Based Methods.
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- Inorganics, 2020, v. 8, n. 2, p. 15, doi. 10.3390/inorganics8020015
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Syntheses and Structures of Novel λ3,λ3-Phosphanylalumanes Fully Bearing Carbon Substituents and Their Substituent Effects.
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- Inorganics, 2019, v. 7, n. 11, p. 132, doi. 10.3390/inorganics7110132
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Synthesis and Structural Characterization of Two New Main Group Element Carboranylamidinates.
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- Inorganics, 2019, v. 7, n. 3, p. 41, doi. 10.3390/inorganics7030041
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2‐Halo Glycals as "Synthon" for 2‐C‐Branched Sugar: Recent Advances and Applications in Organic Synthesis.
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- Asian Journal of Organic Chemistry, 2020, v. 9, n. 6, p. 882, doi. 10.1002/ajoc.202000195
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Amidinato Germylene‐Zinc Complexes: Synthesis, Bonding, and Reactivity.
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- Chemistry - An Asian Journal, 2020, v. 15, n. 19, p. 3116, doi. 10.1002/asia.202000807
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A Design Strategy for Single‐Stranded Helicates using Pyridine‐Hydrazone Ligands and Pb<sup>II</sup>.
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- Chemistry - An Asian Journal, 2019, v. 14, n. 8, p. 1184, doi. 10.1002/asia.201801784
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Spotlights on our sister journals: Chem. Asian J. 12/2013.
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- Chemistry - An Asian Journal, 2013, v. 8, n. 12, p. 2890, doi. 10.1002/asia.201390046
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- Article
The Art of Integrated Functionalization: Super Stable Black Phosphorus Achieved through Metal‐Organic Framework Coating.
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- Advanced Functional Materials, 2020, v. 30, n. 27, p. 1, doi. 10.1002/adfm.202002232
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XBi<sub>4</sub>S<sub>7</sub> (X = Mn, Fe): New Cost‐Efficient Layered n‐Type Thermoelectric Sulfides with Ultralow Thermal Conductivity.
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- Advanced Functional Materials, 2019, v. 29, n. 48, p. N.PAG, doi. 10.1002/adfm.201904112
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- Article
High‐Order Shift Current Induced Terahertz Emission from Inorganic Cesium Bromine Lead Perovskite Engendered by Two‐Photon Absorption.
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- Advanced Functional Materials, 2019, v. 29, n. 40, p. N.PAG, doi. 10.1002/adfm.201904694
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Layered Germanium Hybrid Perovskite Bromides: Insights from Experiments and First‐Principles Calculations.
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- Advanced Functional Materials, 2019, v. 29, n. 31, p. N.PAG, doi. 10.1002/adfm.201903528
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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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Crystal and domain structure of acentric Bi<sub>2</sub>Pb<sub>3</sub>(GeO<sub>4</sub>)<sub>3</sub> apatite.
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- Crystal Research & Technology, 2015, v. 50, n. 12, p. 922, doi. 10.1002/crat.201500251
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Polar Germanosilicate K<sub>1.46</sub>Pb<sub>1.54</sub>Ca[(Ge<sub>0.23</sub>Si<sub>0.77</sub>)<sub>3</sub>O<sub>9</sub>](OH)<sub>0.54</sub> ⋅ 0.46H<sub>2</sub>O with a Wollastonite Chain and Wide Isomorphism.
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- Crystallography Reports, 2019, v. 64, n. 2, p. 247, doi. 10.1134/S1063774519020068
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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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Electronic, magneto-optical and magnetic anisotropy properties of tetragonal BiFeO<sub>3</sub>.
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- European Physical Journal B: Condensed Matter, 2020, v. 93, n. 9, p. N.PAG, doi. 10.1140/epjb/e2020-10190-6
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Development of molecular fragment interaction method for designing organic ferromagnets.
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- Journal of Mathematical Chemistry, 2016, v. 54, n. 8, p. 1585, doi. 10.1007/s10910-016-0638-3
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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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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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- Article
EFFECT OF COMPOSITIONAL VARIATION ON PHYSICAL PARAMETERS OF QUATERNARY CHALCOGENIDE GLASSES Se<sub>69</sub>Sn<sub>10</sub>Ge<sub>21-x</sub>Sb<sub>x</sub> (6≤x≤14).
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- Journal of Ovonic Research, 2020, v. 16, n. 1, p. 41, doi. 10.15251/jor.2020.161.41
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EFFECT OF PARTIAL REPLACEMENT OF Se BY Ge ON THE PHYSICAL PARAMETERS OF Ge-Sn-Se GLASS SYSTEM.
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- Journal of Ovonic Research, 2013, v. 9, n. 6, p. 167
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Correlating Structural Features and <sup>207</sup>Pb NMR Parameters with the Stereochemical Activity of Pb<sup>II</sup> Lone Pairs in Birefringent Pb[2,6-bis(benzimidazol-2-yl)pyridine] Complexes.
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- European Journal of Inorganic Chemistry, 2017, v. 2017, n. 1, p. 88, doi. 10.1002/ejic.201601235
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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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