Works matching DE "IONIZATION energy"
Results: 994
Carboxylic Groups via Postpolymerization Modification of Polythiophene and their Influence on the Performance of a Polymeric MALDI Matrix.
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- Macromolecular Chemistry & Physics, 2023, v. 224, n. 1, p. 1, doi. 10.1002/macp.202200250
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Superalkalis with Hydrogen as Central Electronegative Atom and their Possible Applications: Ab Initio and DFT Study.
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- Chemistry - A European Journal, 2024, v. 30, n. 28, p. 1, doi. 10.1002/chem.202304223
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Highly Efficient Blue Fluorescent Organic Light‐Emitting Devices Based on λ<sup>5</sup>‐Phosphinine Derivatives.
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- Chemistry - A European Journal, 2024, v. 30, n. 21, p. 1, doi. 10.1002/chem.202304328
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Direct Spectroscopic Identification of BN‐Arynes and Subtle Steric Effects on Nitrogen Fixation.
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- Chemistry - A European Journal, 2023, v. 29, n. 72, p. 1, doi. 10.1002/chem.202302444
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Striking Size and Doping Effects of Ti−Si−O Clusters on Methane Conversion Reactions.
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- Chemistry - A European Journal, 2022, v. 28, n. 49, p. 1, doi. 10.1002/chem.202201136
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Ammonia Borane, NH<sub>3</sub>BH<sub>3</sub>: A Threshold Photoelectron–Photoion Coincidence Study of a Potential Hydrogen‐Storage Material.
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- Chemistry - A European Journal, 2022, v. 28, n. 42, p. 1, doi. 10.1002/chem.202201378
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Conformer‐Selective Photoelectron Circular Dichroism.
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- Angewandte Chemie, 2024, v. 136, n. 17, p. 1, doi. 10.1002/ange.202401423
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Bulk and Surface Contributions to Ionisation Potentials of Metal Oxides.
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- Angewandte Chemie, 2023, v. 135, n. 40, p. 1, doi. 10.1002/ange.202308411
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N−X⋅⋅⋅O−N Halogen Bonds in Complexes of N‐Haloimides and Pyridine‐N‐oxides: A Large Data Set Study.
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- Angewandte Chemie, 2023, v. 135, n. 34, p. 1, doi. 10.1002/ange.202307372
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Triarylamine/Bithiophene Copolymer with Enhanced Quinoidal Character as Hole‐Transporting Material for Perovskite Solar Cells.
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- Angewandte Chemie, 2022, v. 134, n. 27, p. 1, doi. 10.1002/ange.202203949
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Azacalix[3]triazines: A Substructure of Triazine‐Based Graphitic Carbon Nitride Featuring Anion‐π Interactions.
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- Angewandte Chemie, 2021, v. 133, n. 30, p. 16513, doi. 10.1002/ange.202104467
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Li‐N<sub>2</sub> Batteries: A Reversible Energy Storage System?
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- Angewandte Chemie, 2019, v. 131, n. 49, p. 17946, doi. 10.1002/ange.201911338
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Correspondence on "Core Electron Topologies in Chemical Compounds: Case Study of Carbon versus Silicon".
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- Angewandte Chemie, 2019, v. 131, n. 31, p. 10512, doi. 10.1002/ange.201812959
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Formation of Glyoxylic Acid in Interstellar Ices: A Key Entry Point for Prebiotic Chemistry.
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- Angewandte Chemie, 2019, v. 131, n. 17, p. 5719, doi. 10.1002/ange.201901059
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Trap-Assisted Recombination via Integer Charge Transfer States in Organic Bulk Heterojunction Photovoltaics.
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- Advanced Functional Materials, 2014, v. 24, n. 40, p. 6309, doi. 10.1002/adfm.201401513
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Fermi Level Pinning and Orbital Polarization Effects in Molecular Junctions: The Role of Metal Induced Gap States.
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- Advanced Functional Materials, 2014, v. 24, n. 39, p. 6154, doi. 10.1002/adfm.201400809
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Open-Circuit Voltage and Effective Gap of Organic Solar Cells.
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- Advanced Functional Materials, 2014, v. 23, n. 46, p. 5814, doi. 10.1002/adfm.201301048
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DFT study of the stability of oxygen vacancy in cubic ABO perovskites.
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- Journal of Materials Science, 2015, v. 50, n. 4, p. 1701, doi. 10.1007/s10853-014-8731-0
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Simulation of doping levels and deep levels in InGaN-based single-junction solar cell.
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- Journal of Materials Science, 2012, v. 47, n. 11, p. 4595, doi. 10.1007/s10853-012-6321-6
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Exploring Inelastic Differential Phase Contrast Imaging for Inner-shell Ionization.
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- Microscopy & Microanalysis, 2024, v. 30, p. 1, doi. 10.1093/mam/ozae044.905
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Considerations for Determining Duane-Hunt Limits on Electron Beam Instruments.
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- Microscopy & Microanalysis, 2024, v. 30, p. 1, doi. 10.1093/mam/ozae044.097
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Impacts on Proton Fluxes Observed During Different Interplanetary Conditions.
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- Solar Physics, 2019, v. 294, n. 5, p. N.PAG, doi. 10.1007/s11207-019-1450-6
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Helium Suppression in Impulsive Solar Energetic-Particle Events.
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- Solar Physics, 2019, v. 294, n. 3, p. N.PAG, doi. 10.1007/s11207-019-1422-x
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Limb Event Brightenings and Fast Ejection Using IRIS Mission Observations.
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- Solar Physics, 2015, v. 290, n. 10, p. 2871, doi. 10.1007/s11207-015-0771-3
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EVALUATION OF THE STRUCTURE AND CHARACTERISTICS OF CIRCUMTRINDENE DERIVATIVES: A DFT STUDY.
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- Journal of Structural Chemistry, 2022, v. 63, n. 3, p. 331, doi. 10.1134/S0022476622030027
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Experimental and Theoretical Studies on Molecular Structures, Nanostructural Features, and Photophysical Properties of 5-Amino-1-Alkylimidazole-4-Carboxamide Compounds.
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- Journal of Structural Chemistry, 2019, v. 60, n. 6, p. 990, doi. 10.1134/S0022476619060143
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Effect of the External Electric Field on the Electronic Structure and Aromaticity of Iridabenzene: A DFT Study.
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- Journal of Structural Chemistry, 2019, v. 60, n. 4, p. 547, doi. 10.1134/S002247661904005X
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Structural and Chemical Characteristics of Model Molecular Fragments of Petroleum Resins.
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- Journal of Structural Chemistry, 2018, v. 59, n. 3, p. 550, doi. 10.1134/S0022476618030071
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New molecular descriptor of the 'structure-property' model for the estimation of ionization potentials of naphtho- and anthraquinones.
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- Journal of Structural Chemistry, 2015, v. 56, n. 5, p. 829, doi. 10.1134/S0022476615050030
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Theoretical studies on the spectroscopic properties of methyl mercaptan (CHSH).
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- Journal of Structural Chemistry, 2015, v. 56, n. 2, p. 216, doi. 10.1134/S0022476615020031
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A quantum chemical study of the structure of dodecasilsequioxane HSiO.
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- Journal of Structural Chemistry, 2014, v. 55, n. 1, p. 23, doi. 10.1134/S0022476614010041
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Justification of the electrical scheme of biological tissue replacementunder the action of DC voltage.
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- Machinery & Energetics, 2022, v. 13, n. 4, p. 60, doi. 10.31548/machenergy.13(4).2022.60-71
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Experimental and simulation studies of radiation‐induced single event burnout in SiC‐based power MOSFETs.
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- IET Power Electronics (Wiley-Blackwell), 2021, v. 14, n. 9, p. 1700, doi. 10.1049/pel2.12147
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Theoretical analysis of OLED performances of some aromatic nitrogen-containing ligands.
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- Turkish Journal of Chemistry, 2023, v. 47, n. 4, p. 689, doi. 10.55730/1300-0527.3571
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Synthesis and characterization of a series of conducting polymers based on indole and carbazole.
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- Turkish Journal of Chemistry, 2022, v. 46, n. 5, p. 1677, doi. 10.55730/1300-0527.3471
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A study of silicon and germanium-based molecules in terms of solar cell devices performance.
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- Turkish Journal of Chemistry, 2022, v. 46, n. 5, p. 1607, doi. 10.55730/1300-0527.3464
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Density functional theory-supported studies of structural and electronic properties of substituted-phenol derivatives synthesized by efficient O- or C-arylation via Chan–Lam or Suzuki cross-coupling reactions.
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- Turkish Journal of Chemistry, 2019, v. 43, n. 5, p. 1306, doi. 10.3906/kim-1901-41
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Neutral atoms and ion energies, accurate ionization potential, and electron affinities by polynomial generator coordinate Hartree-Fock method.
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- Turkish Journal of Chemistry, 2018, v. 42, n. 6, p. 1678, doi. 10.3906/kim-1804-37
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- Article
Exploring the Structure, Optical and Electronic Properties of New PVA–PEO–Ba–Si<sub>3</sub>N<sub>4</sub>Structures fo rElectronics Applications.
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- Nanosistemi, Nanomateriali, Nanotehnologii, 2024, v. 22, n. 3, p. 699, doi. 10.15407/nnn.22.03.697
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Design of PEO/NiO/In<sub>2</sub>O<sub>3</sub> Structures and Tailoring the Optical and Electronic Characteristics for Electronic Devices.
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- Nanosistemi, Nanomateriali, Nanotehnologii, 2023, v. 21, n. 2, p. 289
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Design and Augmentation of the Optical and Electronic Characteristics of BaTiO<sub>3</sub>-Nanostructures-Doped PVA/PEG for Electronics Nanodevices.
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- Nanosistemi, Nanomateriali, Nanotehnologii, 2023, v. 21, n. 1, p. 113
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Exploring the Optical, Electronic and Thermal Characteristics of (PEO/Cu/Ag/H<sub>2</sub>O) New Nanostructures to Use in Solar Collectors.
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- Nanosistemi, Nanomateriali, Nanotehnologii, 2022, v. 20, n. 4, p. 951, doi. 10.15407/nnn.20.04.951
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Solution‐Processable Hole‐Transporting Polymers: Synthesis, Doping Study and Crosslinking Induced by UV‐Irradiation or Huisgen‐Click Cycloaddition.
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- Advanced Materials Interfaces, 2022, v. 9, n. 7, p. 1, doi. 10.1002/admi.202101379
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Thickness‐Dependent Energy‐Level Alignment at the Organic–Organic Interface Induced by Templated Gap States.
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- Advanced Materials Interfaces, 2022, v. 9, n. 3, p. 1, doi. 10.1002/admi.202101382
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Solid Electrolyte Interfaces: The Effect of Interfacial Charge Distribution on Chemical Compatibility and Stability of the High Voltage Electrodes (LiCoPO<sub>4</sub>, LiNiPO<sub>4</sub>)/Solid Electrolyte (LiPON) Interface (Adv. Mater. Interfaces 12/2020)
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- Advanced Materials Interfaces, 2020, v. 7, n. 12, p. 1, doi. 10.1002/admi.202070070
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The Effect of Interfacial Charge Distribution on Chemical Compatibility and Stability of the High Voltage Electrodes (LiCoPO<sub>4</sub>, LiNiPO<sub>4</sub>)/Solid Electrolyte (LiPON) Interface.
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- Advanced Materials Interfaces, 2020, v. 7, n. 12, p. 1, doi. 10.1002/admi.202000276
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Dipolar Substitution Impacts Growth and Electronic Properties of Para‐Sexiphenyl Thin Films.
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- Advanced Materials Interfaces, 2020, v. 7, n. 3, p. N.PAG, doi. 10.1002/admi.201901707
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Surface Functionalization of Sulflower with Superhalogens Doping to Achieve Robustly Large Nonlinear Optical Response: Interactive Design Computation of New NLO Materials for Modern Electro-Optic Applications.
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- Polycyclic Aromatic Compounds, 2024, v. 44, n. 4, p. 2576, doi. 10.1080/10406638.2023.2219363
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The δ Bond and Trigonal Paddlewheels Before the Dawn of the Quintuple Bond.
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- Comments on Inorganic Chemistry, 2015, v. 35, n. 1, p. 39, doi. 10.1080/02603594.2014.1002033
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Monte Carlo Simulation of Energy Dissipation during the Cascade Decay of Inner-Shell Vacancies in an Iron Atom Placed in Water.
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- Journal of Experimental & Theoretical Physics, 2023, v. 137, n. 6, p. 800, doi. 10.1134/S1063776123120178
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- Article