Keywords: حالت های الکترونیکی; Heme; Imidazole; H2S binding; Electronic states; Density functional theory; Coupled cluster theory;
مقالات ISI حالت های الکترونیکی (ترجمه نشده)
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Keywords: حالت های الکترونیکی; EELS; STEM; Orbitals; Electronic states; Mapping;
Keywords: حالت های الکترونیکی; Laterally-coupled quantum wires; Nonlinear optical rectification; Electronic states;
Keywords: حالت های الکترونیکی; Electronic states; Corrosion inhibitors; Selenourea; DFT calculations;
Keywords: حالت های الکترونیکی; Quantum wells; Electronic states; Nonlinear optics
Keywords: حالت های الکترونیکی; Anti-dot; Electronic states; Pauli effect; Rashba effect; Dresselhaus effect
Keywords: حالت های الکترونیکی; 2-Quinolone cation; Electronic states; Ab initio computations; Ionization energies; DNA analogs
Keywords: حالت های الکترونیکی; Coupled circular quantum dots; Electronic states; Electric field effect; Optical response
Keywords: حالت های الکترونیکی; Tellurium monoxide; Configuration interaction; RECP; Spin-orbit coupling; Potential energy curves; Electronic states;
Keywords: حالت های الکترونیکی; Titanium dioxide; Electronic states; Semiconductors; Dissociation constant; Photo-electrochemistry; Nano-particles
Keywords: حالت های الکترونیکی; Gaussian shaped quantum ring; Superlattice; Interdiffusion; Electronic states; Bloch amplitudes
Keywords: حالت های الکترونیکی; Double quantum ring; Interdiffusion; Electronic states; Nonlinear absorption
Keywords: حالت های الکترونیکی; Twin structure; Electronic states; Optical properties
Keywords: حالت های الکترونیکی; Silicene; Electronic states; Chemical functionalization;
Keywords: حالت های الکترونیکی; Se+4 doped TiO2; UV/vis photocatalysis; Electronic states; Ti+3 centers; Oxygen vacancies;
Keywords: حالت های الکترونیکی; Quantum ring superlattice; Interdiffusion; Electronic states; Bloch amplitudes
Keywords: حالت های الکترونیکی; Nanostructure; Electronic states; Electronic transitions; FERMI energy; Absorption; Film;
Keywords: حالت های الکترونیکی; Tellurium selenide; Configuration interaction; Relativistic effective core potentials; Spin–orbit coupling; Potential energy curves; Electronic states
Transition moments, radiative transition probabilities, and radiative lifetimes for the band systems A 2Π-X 2Σ+, B 2Σ+-X 2Σ+, and A 2Π-A´ 2Πof scandium monosulfide, ScS
Keywords: حالت های الکترونیکی; Scandium monosulfide; ScS; Electronic states; CASSCF/MRCI method; Potential energy curves; Transition moments; Einstein Avâ²vâ²â² coefficients; Radiative lifetimes;
Spectroscopic study of the C(3)1Σ+ â¯â⯠X1Σ+ and c(2)3Σ+ â¯â⯠X1Σ+ transitions in KCs molecule
Keywords: حالت های الکترونیکی; Laser spectroscopy; Alkali dimers; Electronic states; Potential energy curves; 31.50.Df; 33.20.Kf; 33.20.Vq; 42.62.Fi;
Tunability of linear and nonlinear optical absorption in laterally-coupled AlxGa1âxAs/GaAs quantum wires
Keywords: حالت های الکترونیکی; Laterally-coupled quantum wires; Optical absorption; Electronic states;
Mapping electronic states of triple anti-parallel and symmetric zigzag grain boundaries of graphene on highly oriented pyrolytic graphite
Keywords: حالت های الکترونیکی; Periodic grain boundaries (GBs); Electronic states; Graphene; Scanning tunneling microscopy/spectroscopy (STM/S); High oriented pyrolytic graphite (HOPG);
Experimental and theoretical study of the B(2)2Σ+â X(1)2Σ+ system in the KSr molecule
Keywords: حالت های الکترونیکی; Thermoluminescence spectroscopy; Alkaline-earth molecules; Electronic states; Potential energy curves; ab initio calculations,;
First-principles study on the multiferroic BiFeO3 (0001) polar surfaces
Keywords: حالت های الکترونیکی; BiFeO3; Multiferroic; Polar surface; Atomic relaxation; Electronic states; First-principles;
Geometrical and electronic structure of the molybdenum and tungsten halides MX3 and MX4 (MÂ =Â Mo, W; XÂ =Â F, Cl): Jahn-Teller effect and spin-orbit coupling
Keywords: حالت های الکترونیکی; Halide complexes; Ab initio calculation; Electronic states; Geometrical structure; Jahn-Teller effect; Spin-orbit coupling;
Potential energy curve of the D(3)Î u1 state in rubidium dimer from spectroscopic measurements
Keywords: حالت های الکترونیکی; Laser spectroscopy; Alkali dimers; Electronic states; Potential energy curves;
Investigation of oxygen defects in wurtzite InN by using density functional theory
Keywords: حالت های الکترونیکی; Indium nitride; Oxygen defects; Semiconductors; Electronic states; Computer simulation; Growth models;
Effects of temperature on binding energy and the nonlinear optical properties of a hydrogenic donor in a GaAs/Ga0.8Al0.2As pillbox immersed in a Ga0.6Al0.4As material
Keywords: حالت های الکترونیکی; Electronic states; Optical absorption; Temperature
Strain effects on electronic states and lattice vibration of monolayer MoS2
Keywords: حالت های الکترونیکی; Band gap; Electronic states; Phonon dispersion; MoS2; Strain effect
Synthesis, structural and electronic properties of monodispersed self-organized single crystalline nanobricks of isocubanite CuFe2S3
Keywords: حالت های الکترونیکی; Self-organized single crystalline nanoparticles of isocubanite; Magnetic behavior; Electronic states; Mössbauer spectroscopy
Green synthesis of boron doped graphene and its application as high performance anode material in Li ion battery
Keywords: حالت های الکترونیکی; Lithium ion battery; Boron doping; Electronic states; Specific capacity
Electronic states of carbon disulphide in the 5.5-11.8 eV region by VUV photo absorption spectroscopy
Keywords: حالت های الکترونیکی; Carbon disulphide; Photoabsorption; Electronic states; Synchrotron radiation; TDDFT calculation;
Electronic states of the m-C6H4Cl2+ ion studied using multiconfiguration second-order perturbation theory
Keywords: حالت های الکترونیکی; CASPT2; Electronic states; Excitation energies; Geometries;
The effect of H adsorption on the electronic and magnetic states in the hybrid structure of graphene and BN
Keywords: حالت های الکترونیکی; Graphene; BN; Hybrid structure; Mid-gap states; Electronic states;
Study of the A1Σ+ and b3Π0 states in LiCs by a polarization labelling spectroscopy technique
Keywords: حالت های الکترونیکی; Diatomic molecules; Electronic states; Potential energy curves; Laser spectroscopy; Perturbations in molecular spectra;
Novel carbon diamond-like phases LA5, LA7 and LA8
Keywords: حالت های الکترونیکی; Diamond crystal; Diamond-like carbon; Mechanical properties; Electronic states
Ab-initio potential energy curves of valence and Rydberg electronic states of the PO radical
Keywords: حالت های الکترونیکی; Electronic states; Spectroscopic constants; Highly correlated quantum chemistry methods; Potential energy curves; Spin-orbit couplings; Predissociation;
SnO2: A comprehensive review on structures and gas sensors
Keywords: حالت های الکترونیکی; SnO2; Crystal structure; Bulk modulus; Electronic states; Nanostructures; Gas sensing;
Spontaneous transformation of polyelectrolyte-stabilized silver nanoprisms by interaction with thiocyanate
Keywords: حالت های الکترونیکی; Triangular silver nanoprisms; Shape transformation processes; Electronic states; Reaction kinetics; Ligand effects; Online spectrophotometry
Theoretical studies of the electronic spectrum of tellurium monosulfide
Keywords: حالت های الکترونیکی; Tellurium monosulfide; Configuration interaction; Spin–orbit coupling; Potential energy curves; Electronic states; Spectroscopic constants
Electron states and related optical responses in asymmetric inverse parabolic quantum wells
Keywords: حالت های الکترونیکی; Quantum well; Nonlinear optics; Modulation doping; Electronic states
DFT/TD-DFT study of solvent effect as well the substituents influence on the different features of TPP derivatives for PDT application
Keywords: حالت های الکترونیکی; DFT calculations; TD-DFT calculations; Electronic states; Photodynamic therapy; Photosensitizer
Investigation of electronic states of infinite-layer SrFeO2 epitaxial thin films by X-ray photoemission and absorption spectroscopies
Keywords: حالت های الکترونیکی; SrFeO2; Epitaxial thin films; Electronic states; Optical gap; Photoemission spectroscopy; X-ray absorption spectroscopy;
Electronic transmission in random trimer InAs/InxGa1−xAs superlattices
Keywords: حالت های الکترونیکی; Superlattices; Correlated disorder; Random timer barrier; Electronic states; Electronic transmission
Tilted electric field effects on the electronic states in a GaAs quantum disk
Keywords: حالت های الکترونیکی; Quantum dots; Electric field; Electronic states
Electronic states and the resonant optical non-linearity of exciton in a narrow band InSb quantum dot
Keywords: حالت های الکترونیکی; Electronic states; Narrow band gap; Exciton binding energy; Interband emission energy; Optical absorption; Quantum dot
Configuration interaction study of the electronic states and spectroscopic properties of selenium monoxide
Keywords: حالت های الکترونیکی; Selenium monoxide; Configuration interaction; Relativistic effective core potential; Basis set; Electronic states;
Electronic states of metal (Cu, Ag, Au) atom on CeO2(1Â 1Â 1) surface: The role of local structural distortion
Keywords: حالت های الکترونیکی; Ceria surface; Metal atom adsorption; Structural distortion; Electronic states; First-principles calculations;
Optical properties of a hydrogenic impurity in a confined Zn1−xCdxSe/ZnSe spherical quantum dot
Keywords: حالت های الکترونیکی; Electronic states; Optical absorption; Polaron
Electric field induced exciton binding energy and its non-linear optical properties in a narrow InSb/InGaxSb1−x quantum dot
Keywords: حالت های الکترونیکی; Electronic states; Optical absorption; Quantum dot