Stopping power of palladium for protons in the energy range 0.300–3.100 MeV
Keywords: پتانسیل یونیزاسیون; Stopping power; Palladium; Ionization potential; Barkas effect
مقالات ISI پتانسیل یونیزاسیون (ترجمه نشده)
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Electro-active polymers containing electronically isolated N-phenyl-N-naphtylamine fragments
Keywords: پتانسیل یونیزاسیون; Electroactive monomer; Electroactive polymer; Ionization potential; Charge transport; Light emitting diode;
3,6-Diaryl substituted 9-alkylcarbazoles as hole transporting materials for various organic light emitting devices
Keywords: پتانسیل یونیزاسیون; Substituted carbazole; Electro-active material; Amorphous material; Ionization potential; Light emitting diode; Current efficiency
Transformation of polycyclic aromatic hydrocarbons (PAHs) on Fe(III)-modified clay minerals: Role of molecular chemistry and clay surface properties
Keywords: پتانسیل یونیزاسیون; Clay minerals; Polycyclic aromatic hydrocarbons (PAHs); Ionization potential; Electron transfer; Transformation
Structural, electronic and charge transfer studies of dianthra[2,3-b:2â²,3â²-f]thieno[3,2-b]thiophene and its analogues: Quantum chemical investigations
Keywords: پتانسیل یونیزاسیون; Organic field effect transistors; Frontier molecular orbitals; Ionization potential; Electron affinity; Reorganization energy;
Novel silanetellones: Structures, ionization potentials, electron affinities, singlet-triplet gaps and Kohn-Sham HOMO-LUMO gaps of the X2SiTe and XYSiTe (X, YÂ =Â H, F, Cl, Br, I and CN) molecules
Keywords: پتانسیل یونیزاسیون; Heavy ketones; Silanetellone; Ionization potential; Electron affinities; Singlet-triplet gap; HOMO-LUMO gap;
Revised and extended analysis of the fourth spectrum of indium: In IV
Keywords: پتانسیل یونیزاسیون; Atomic spectra; Energy levels; Transition probability; Oscillator strength; Ionization potential;
Theoretical study on the ground electronic state of SCl+ and SClâ
Keywords: پتانسیل یونیزاسیون; Coupled-cluster theory; Potential energy curve; Spectroscopic parameter; Electron affinity; Ionization potential; Vibrational energy level;
On the dissociation energy of positively charged species
Keywords: پتانسیل یونیزاسیون; Atomization energy; Ionization potential; Work function;
Fluctuations and the ionization potential in dense plasmas
Keywords: پتانسیل یونیزاسیون; Ionization potential; Fluctuations
Ionization potentials and structural properties of finite-length single-walled carbon nanotubes: DFT study
Keywords: پتانسیل یونیزاسیون; Single-walled carbon nanotube; Ionization potential; DFT; B3LYP
Carbazole- and phenylindole-based new host materials for phosphorescent organic light emitting diodes
Keywords: پتانسیل یونیزاسیون; Carbazole; Phenylindole; Amorphous layer; Ionization potential; Host material; Light emitting diode
Twin derivatives of 3-arylcarbazoles as efficient hole transporting amorphous materials
Keywords: پتانسیل یونیزاسیون; Carbazole derivative; Amorphous material; Ionization potential; Light emitting diode
Twin derivatives containing two 9-alkylcarbazol-3-yl fragments as new electro-active materials for organic light-emitting diodes
Keywords: پتانسیل یونیزاسیون; Electro-active material; Amorphous material; Ionization potential; Electroluminescent device; Photometric efficiency
Cobalt as chemical modifier to improve chromium sensitivity and minimize matrix effects in tungsten coil atomic emission spectrometry
Keywords: پتانسیل یونیزاسیون; Chemical modifier; Tungsten coil; Ionization/excitation mechanism; Atomic emission; Ionization potential
Theoretical insight of polypyrrole ammonia gas sensor
Keywords: پتانسیل یونیزاسیون; Density functional theory; Conducting polymers; Polypyrrole; Gas sensor; TD-DFT; B3LYP/6-31G (d) ;); Ionization potential; Electron affinity; Band gap; UV–vis; HOMO–LUMO; Mulliken; NBO
Isolation, identification and radical scavenging activity of phlorotannin derivatives from brown algae, Ecklonia maxima: An experimental and theoretical study
Keywords: پتانسیل یونیزاسیون; Brown algae; Ecklonia maxima; Phlorotannins; Radical scavenging activity; Hydrogen atom transfer mechanism; AAPH; 2,2â²-Azobis (2-methylpropionamidine) dihydrochloride; ABTS; 2,2â²-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid; BDE; bond dissociatio
3-Aryl substituted 9-alkylcarbazoles as tailored building blocks for hole transporting materials of OLEDs
Keywords: پتانسیل یونیزاسیون; Carbazole; Building block; Electro-active material; Ionization potential; Light emitting diode
New derivatives of indazole as electronically active materials
Keywords: پتانسیل یونیزاسیون; Indazole; Diphenylamino; Glass-forming; Thermal stability; Ionization potential; Charge mobility
Changes in ionization potentials of MgO and CaO films upon heating in air and vacuum investigated by metastable de-excitation spectroscopy
Keywords: پتانسیل یونیزاسیون; Plasma display panel; Protective layer; Ion-induced secondary electron emission; Density of states; Metastable de-excitation spectroscopy; Ionization potential; 52.75.-d; 79.60.Dp; 73.20.At;
DFT/B3LYP study of the substituent effects on the reaction enthalpies of the antioxidant mechanisms of Indole-3-Carbinol derivatives in the gas-phase and water
Keywords: پتانسیل یونیزاسیون; I3C; Indole-3-Carbinol; IEF-PCM; integral equation formalism polarized continuum model; DFT; density functional theory; BDE; bond dissociation enthalpy; IP; ionization potential; PA; proton affinity; SET-PT; single electron transfer followed by proton tra
Biocatalytic oxidation of phenolic compounds by bovine methemoglobin in the presence of H2O2: Quantitative structure-activity relationships
Keywords: پتانسیل یونیزاسیون; ABTS; 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid); 4AP; 4-amino-phenol; APAP; acetaminophen; BDE; bond dissociation energy; 4CNP; 4-cyanophenol; 4CP; 4-chlorophenol; EA; electron affinity; EHOMO; energy of the highest-occupied molecular orbi
A theoretical study of the structure-radical scavenging activity of hydroxychalcones
Keywords: پتانسیل یونیزاسیون; Hydroxychalcones; Radical scavenging activity; DFT; O-H bond dissociation enthalpy; Ionization potential;
Mechanistic insight into the DPPH radical-scavenging activity of hydroxystilbene derivatives
Keywords: پتانسیل یونیزاسیون; Hydroxystilbene derivatives; Quantum chemical calculation; Bond dissociation enthalpy; Ionization potential; H-atom transfer;
Electronic, optical and charge transfer properties of α,αâ²-bis(dithieno[3,2-b:2â²,3â²- d]thiophene) (BDT) and its heteroatom-substituted analogues
Keywords: پتانسیل یونیزاسیون; OTFTs; Absorption; Ionization potential; Electron affinity; Reorganization energy;
Diphenylsilanes containing electronically isolated carbazolyl fragments as host materials for light emitting diodes
Keywords: پتانسیل یونیزاسیون; Oxetane; Amorphous material; Ionization potential; Host; Light emitting diode;
Aryl substituted 9-(2,2-diphenylvinyl)carbazoles as efficient materials for hole transporting layers of OLEDs
Keywords: پتانسیل یونیزاسیون; Carbazole derivatives; Amorphous material; Ionization potential; Light emitting diode
Branched diphenylsilane derivatives containing electronically isolated indolyl moieties as host materials for blue organic light emitting diodes
Keywords: پتانسیل یونیزاسیون; Indole; Oxetane; Amorphous material; Ionization potential; Host; Light emitting diode
Reactions of positive ions with ClN3 at 300Â K
Keywords: پتانسیل یونیزاسیون; Chlorine azide; Proton affinity; Ionization potential; Kinetics; Rate constants; Branching ratios;
Cross-linkable fluorenyl-substituted aromatic amines for polymeric hole transporting networks
Keywords: پتانسیل یونیزاسیون; Aromatic amine; Cross-linkable material; Ionization potential; Light emitting diode;
Growth morphology and energy level alignment of pentacene films on SiO2 surface treated with self-assembled monolayer
Keywords: پتانسیل یونیزاسیون; Pentacene; Octadecyltrichlorosilane; PEEM; UPS; Ionization potential
The SAC/SAC-CI studies of ground and low-lying electronic excited states of OClO, OClO+ and OClOâ
Keywords: پتانسیل یونیزاسیون; Excited state; SAC/SAC-CI; Equilibrium geometry; Excitation energy; Ionization potential; Detachment energy;
Monomers and oligomers with the pendent adducts of carbazole with 5H-dibenz(b,f)azepine and its 10,11-dihydro derivative
Keywords: پتانسیل یونیزاسیون; Carbazole; Dibenzazepine; Hole drift mobility; Ionization potential;
Hydrazones containing electron-accepting and electron-donating moieties
Keywords: پتانسیل یونیزاسیون; Hydrazone; Electron-accepting; Electron-donating; Glass-forming; Ionization potential; Charge mobility
Theoretical study of the stability of small triply charged carbon clusters Cn3+ (n = 3–12)
Keywords: پتانسیل یونیزاسیون; Carbon cluster; Triply charged; Theoretical study; Dissociation energy; Ionization potential
Structure–properties relationship of hydrazones containing methoxy-substituted triphenylamino groups
Keywords: پتانسیل یونیزاسیون; Hydrazone; Triphenylamine; Methoxy group; Ionization potential; Charge mobility
Symmetrical azine-based polymers possessing 1-phenyl-1,2,3,4-tetrahydroquinoline moieties as materials for optoelectronics
Keywords: پتانسیل یونیزاسیون; Electroactive polymers; Azine; 1-Phenyl-1,2,3,4-tetrahydroquinoline; Ionization potential; Charge transport;
Synthesis of the hole-transporting molecular glasses possessing pendant 3,6-dibromocarbazolyl moieties
Keywords: پتانسیل یونیزاسیون; 3,6-Dibromocarbazole; Molecular glass; Ionization potential; Photosensitivity; Electrophotography
On the enthalpies of homolytic and heterolytic S-H bond cleavage in para and meta substituted thiophenols
Keywords: پتانسیل یونیزاسیون; DFT; Bond dissociation enthalpy; Ionization potential; Proton affinity; Proton dissociation enthalpy;
DFT/B3LYP study of the substituent effect on the reaction enthalpies of the individual steps of single electron transfer-proton transfer and sequential proton loss electron transfer mechanisms of chroman derivatives antioxidant action
Keywords: پتانسیل یونیزاسیون; DFT; density functional theory; ZPE; zero point energy; IP; ionization potential; PDE; proton dissociation enthalpy; PA; proton affinity; ETE; electron transfer enthalpy; SET-PT; single electron transfer followed by proton transfer; SPLET; sequential pr
Polyethers containing 2-phenylindol-1-yl moieties as host materials for light emitting diodes
Keywords: پتانسیل یونیزاسیون; Electroactive oxetane monomer; Polyether; Ionization potential; Host; Light emitting diode;
Effects of the projectile electronic structure on Bethe–Bloch stopping parameters for Ag
Keywords: پتانسیل یونیزاسیون; Stopping power; Ionization potential; Barkas effect; Electronic structure effect
Simple semi-empirical method for evaluating bond polarity in molecular and crystalline halides
Keywords: پتانسیل یونیزاسیون; Atomic charge; Electronegativity; Bond ionicity; Ionization potential; Electron affinity
Functional derivatives of (bi)phenyl-substituted carbazoles as building blocks for electro-active polymers
Keywords: پتانسیل یونیزاسیون; Electroactive material; Reactive functional group; Monomer; Ionization potential; Light emitting diode;
Polyethers containing pendent 9-aryl[3,3â²]bicarbazolyl fragments as hole-transporting materials for OLEDs
Keywords: پتانسیل یونیزاسیون; Electro-active material; Polymer; Amorphous film; Ionization potential; Light emitting diode;
Toward rational designing of n-type materials: Theoretical investigations of mer-Alq3 derivatives
Keywords: پتانسیل یونیزاسیون; mer-Alq3; Frontier molecular orbitals; Ionization potential; Electron affinity; Reorganization energies; Energy decomposition analysis;
Phenyl-, carbazolyl- and fluorenyl-substituted derivatives of indolo[3,2-b]carbazole as hole-transporting glass forming materials
Keywords: پتانسیل یونیزاسیون; Indolo[3,2-b]carbazole; Molecular glass; Ionization potential; Hole drift mobility;
Study of the solvent effect on the enthalpies of homolytic and heterolytic N-H bond cleavage in p-phenylenediamine and tetracyano-p-phenylenediamine
Keywords: پتانسیل یونیزاسیون; Substituted aniline; Solvent effect; Bond dissociation enthalpy; Ionization potential; Proton affinity; IEF-PCM;
Copolymers containing electronically isolated indolyl fragments as materials for optoelectronics
Keywords: پتانسیل یونیزاسیون; Electro-active material; Monomer; Copolymer; Ionization potential; Light emitting diode;
Pyrazolyl-substituted polyconjugated molecules for optoelectronic applications
Keywords: پتانسیل یونیزاسیون; Pyrazole; Cyano groups; Fluorescence; Ionization potential; Charge carrier mobility