Keywords: پتانسیل یونیزاسیون; Haeckelite; Hybrid functional; Complete active space; Ionization potential; Electron affinity;
مقالات ISI پتانسیل یونیزاسیون (ترجمه نشده)
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Keywords: پتانسیل یونیزاسیون; Cluster; Ferromagnetism; Polarizability; Ionization potential; Falicov-Kimball model;
Keywords: پتانسیل یونیزاسیون; Phosphorene; Nanoflake; Hybrid functional; Relaxation energies; Ionization potential; Electron affinity;
Keywords: پتانسیل یونیزاسیون; Bipolar molecules; Tetracarboxydiimide; Ionization potential; Charge mobility; Self-assembly;
Keywords: پتانسیل یونیزاسیون; Photoelectron emission spectroscopy in air; Atomic layer deposition; Ionization potential; Electron attenuation length; Titanium dioxide;
Keywords: پتانسیل یونیزاسیون; Polymer; Substituted carbazole; Amorphous material; Ionization potential; Charge transporting layer; Organic light emitting diode;
Keywords: پتانسیل یونیزاسیون; Vegetable insulating oil; Streamer; Ionization potential; Electron affinity; Electron trap; Density functional theory;
Keywords: پتانسیل یونیزاسیون; Transient hot-wire method; Thermal conductivity; Alkali-borate structure; Cation effect; Ionization potential; One-dimensional Debye temperature;
Keywords: پتانسیل یونیزاسیون; Electron propagator theory; One-electron Green's function; Second order self-energy correction; Spin-Component-Scaled; Ionization potential; ex-SCS-EP2;
Keywords: پتانسیل یونیزاسیون; Acridan; Diarylamine; Enthalpy of formation; Acidity; Ionization potential; Electrostatic potential surfaces;
Keywords: پتانسیل یونیزاسیون; Twin compound; Indole; Amorphous material; Ionization potential; Charge transporting layer; Organic; Light emitting diode
Keywords: پتانسیل یونیزاسیون; Nanodiamond; Bucky-diamond; Ionization potential; Electron affinity; Charge transfer; Simulation
Keywords: پتانسیل یونیزاسیون; PHE; phenanthrene; ANT; anthracene; PYR; pyrene; BaP; benzo(a)pyrene; PS; persulfate; nZVI; nanoparticles of zerovalent iron; PAH; polycyclic aromatic hydrocarbons; ATQ; anthraquinone; oxy-PAHs; oxidized species from PAHs; ISCO; in situ chemical oxidation
Keywords: پتانسیل یونیزاسیون; Optical band gap; Hole transport; Electrochemical band gap; Electron affinity; Ionization potential
Keywords: پتانسیل یونیزاسیون; Benzotriindole; Carbazole; Hole-transport; Cyclic voltammetry; Ionization potential; Glass-transition;
Keywords: پتانسیل یونیزاسیون; Twin derivative; Carbazole; Amorphous material; Ionization potential; Hole drift mobility; Light emitting diode
Keywords: پتانسیل یونیزاسیون; Absolute solid state energy; Ionization potential; Electron affinity; Electronegativity
Keywords: پتانسیل یونیزاسیون; Triphenylamine; Methoxy substitution; Ionization potential; Charge-transport
Keywords: پتانسیل یونیزاسیون; Ionization potential; Electric field; Polyaromatic molecules; Excitation energy; Insulating liquids;
Keywords: پتانسیل یونیزاسیون; Glass-transition; Fluorescence; Photophysics; Ionization potential; Hole-mobility; Triphenylamine
Keywords: پتانسیل یونیزاسیون; Palladium-catalyzed; Molecular glass; Ionization potential; Photophysical properties; Intramolecular charge-transfer; Intramolecular twisting
Keywords: پتانسیل یونیزاسیون; Density functional theory; Time dependent density functional theory; Frontier molecular orbitals; Ionization potential; Reorganization energy
Keywords: پتانسیل یونیزاسیون; Hydrazone; Phenothiazine; Ionization potential; Hole-transport
Keywords: پتانسیل یونیزاسیون; Pentadentate Schiff base; Charge transfer complex; Benesi–Hildebrand; Interaction; Ionization potential; Spectrophotometry
Keywords: پتانسیل یونیزاسیون; Donor-acceptor polymer; Low band gap polymer; Ionization potential; Transport energy band gap; Exciton binding energy
Keywords: پتانسیل یونیزاسیون; Optimally-tuned range separated hybrid functional; Density functional theory; Organic photovoltaic; Ionization potential; Electron affinity; Fundamental gap;
Keywords: پتانسیل یونیزاسیون; DFT; density functional theory; B3LYP; Becke, three-parameter, Lee-Yang-Parr; BDE; bond dissociation energy; IP; ionization potential; ZPE; zero point energy; NBO; natural bond orbital; IC50; the half-maximal inhibitory concentration; DPPH; 2,2-diphen
Keywords: پتانسیل یونیزاسیون; 2D; two-dimensional; ARPES; angle-resolved photoemission spectroscopy; An-CH3; 9,10-dimethylanthracene; An-Br; 9,10-dibromoanthracene; AIE; aggregation induced emission; BSA; bovine serum albumin; CVD; chemical vapor deposition; CFG; chemical functionaliz
9,9â²-bis(2,2-diphenylvinyl)[3,3â²]bicarbazole as low cost efficient hole transporting material for application in red PhOLEDs
Keywords: پتانسیل یونیزاسیون; Bicarbazole derivative; Amorphous material; Glass transition temperature; Ionization potential; Hole drift mobility; Light emitting diode;
Polyethers containing 4-(carbazol-2-yl)-7-arylbenzo[c]-1,2,5-thiadiazole chromophores as solution processed materials for hole transporting layers of OLEDs
Keywords: پتانسیل یونیزاسیون; Polyether; Glass transition temperature; Amorphous material; Hole transporting material; Ionization potential; Organic light emitting diode;
Accurate ab initio investigation of the ground and some low-lying electronic states of boron monoiodide, BI, and its ions BI+ and BIâ
Keywords: پتانسیل یونیزاسیون; Boron monoiodide; MR-CISD; Binding energy; Electron affinity; Ionization potential;
(Bi)phenyl substituted 9-(2,2-diphenylvinyl)carbazoles as low cost hole transporting materials for efficient red PhOLEDs
Keywords: پتانسیل یونیزاسیون; Carbazole derivative; Amorphous material; Ionization potential; Light emitting diode; Brightness;
Phenylethenyl substituted 10-alkylphenoxazines as new electroactive materials for organic light emitting diodes
Keywords: پتانسیل یونیزاسیون; Syntheses; Phenoxazine; Amorphous material; Ionization potential; Charge transporting layer; Organic light emitting diode;
X-ray, DFT, FTIR and thermal study of the antimicrobial N-benzenesulfonyl-1H-1,2,3-benzotriazole
Keywords: پتانسیل یونیزاسیون; N-benzenesulfonyl benzotriazole; Trypanosoma cruzi; 3D structure; FTIR; Thermal analysis; NBSBZT; N-benzenesulfonyl-1H-1,2,3-benzotriazole; BZT; Benzotriazole; SCXRD; Single Crystal X-ray Diffraction; XRPD; X-ray Powder Diffraction; DFT; Density Functiona
New oligomers containing pendant 4-aryl-7-phenylfluorene units as efficient charge transporting materials for OLEDs
Keywords: پتانسیل یونیزاسیون; Oligomer; Fluorene; Hole transporting material; Ionization potential; Organic light emitting diode;
Invited paperSynthesis and properties of twin derivatives of triphenylamine and carbazole
Keywords: پتانسیل یونیزاسیون; Click chemistry; Glass-forming; Thermal stability; Ionization potential; Charge mobility;
Experimental and theoretical study of bifunctionalized PEO-PPO-PEO triblock copolymers with applications as dehydrating agents for heavy crude oil
Keywords: پتانسیل یونیزاسیون; A; electron affinity; AM1; Austin model 1; DFT; density functional theory; HOMO; highest occupied molecular orbital; I; ionization potential; Ip; polydispersity index; LUMO; lowest unoccupied molecular orbital; MLR; multiple linear regression; Mn; number
Biodegradation of polycyclic aromatic hydrocarbons (PAHs) by fungal enzymes: A review
Keywords: پتانسیل یونیزاسیون; P; Phanerochaete; C; Coriolus; T; Trametes; P; Pleurotus; I; Irpex; LiP; lignin peroxidase; MnP; Mn-peroxidase; VP; versatile peroxidase; LAC; laccase; ABTS; 2,2-azinobis(3-ethylbenzthiazoline-6-sulfonic acid); VA; 3,4-dimethoxybenzyl alcohol, veratryl al
Phenanthro[9,10-d]imidazole based new host materials for efficient red phosphorescent OLEDs
Keywords: پتانسیل یونیزاسیون; Phenanthro[9,10-d]imidazole; Host material; Ionization potential; Phosphorescent; Organic light-emitting diode;
3,7-Diaryl substituted 10-butylphenoxazines as new hole transporting materials for organic light emitting devices
Keywords: پتانسیل یونیزاسیون; Phenoxazine; Electro-active material; Amorphous material; Ionization potential; Charge drift mobility; Light emitting diode;
Polyethers with pendent phenylvinyl substituted carbazole rings as polymers for hole transporting layers of OLEDs
Keywords: پتانسیل یونیزاسیون; Polymer; Carbazole; Amorphous material; Ionization potential; Charge transporting layer; Light emitting diode
Ultrawide band gap amorphous oxide semiconductor, Ga–Zn–O
Keywords: پتانسیل یونیزاسیون; Amorphous oxide semiconductor; Band alignment; Ionization potential; Electron traps
Surface potentials of (111), (110) and (100) oriented CeO2âx thin films
Keywords: پتانسیل یونیزاسیون; CeO2; Photoemission; Ionization potential; Work function; Fermi level; Fluorite structure;
Synthesis and thermopower of poly(3-methoxythiophene-2,5-diyl-co-3,4-ethylenedioxythiophene-2,5-diyl)/tosylate
Keywords: پتانسیل یونیزاسیون; Conducting polymers; Seebeck coefficient; Ionization potential;
Electroactive polymers containing 3-arylcarbazolyl units as hole transporting materials for OLEDs
Keywords: پتانسیل یونیزاسیون; Polyether; Substituted carbazole; Amorphous material; Hole transporting material; Ionization potential; Organic light emitting diode
Derivatives of indandione and differently substituted triphenylamine with charge-transporting and NLO properties
Keywords: پتانسیل یونیزاسیون; Triphenylamine; Indandione; Glass formation; Nonlinear optical properties; Hole-drift mobility; Ionization potential;
Molecular structure, bonding analysis and redox properties of transition metal–Hapca [bis(3-aminopyrazine-2-carboxylic acid)] complexes: A theoretical study
Keywords: پتانسیل یونیزاسیون; Electronic structure; Bonding analysis; Ionization potential; Electron affinity; Natural bond analysis
Characterization of 1,5-dimethoxynaphthalene by vibrational spectroscopy (FT-IR and FT-Raman) and density functional theory calculations
Keywords: پتانسیل یونیزاسیون; 1,5-Dimethoxynaphthalene; DFT; Vibrational spectra; NBO; Electronic properties; Ionization potential;
The Electrolyte Genome project: A big data approach in battery materials discovery
Keywords: پتانسیل یونیزاسیون; High-throughput; Battery; DFT; Ionization potential; Electron affinity; IP/EA; Dissociation constants; Electrolyte;
Electroactive polymers containing pendant harmane, phenoxazine or carbazole rings as host materials for OLEDs
Keywords: پتانسیل یونیزاسیون; Vinyl monomer; Electroactive material; Polystyrene; Ionization potential; Host; Light emitting diode