Keywords: انرژی پیوند; Equilibrium crystal shape; Grain boundary plane distribution; Surface energy; Strontium titanate; Binding energy
مقالات ISI انرژی پیوند (ترجمه نشده)
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Keywords: انرژی پیوند; Glass powder; XPS spectroscopy; Surface chemical composition; Binding energy; Mortar;
Keywords: انرژی پیوند; Binding energy; Optical properties; Quantum dot
Keywords: انرژی پیوند; Single-walled nanotubes; Double-walled nanotubes; Polyhedral nanotubes; Formation energy; Strain energy; Binding energy;
Keywords: انرژی پیوند; Silicene; Graphene; Phonon dispersions; Band structure; Optical properties; Dielectric response; Binding energy; DFT calculations; GW approximations;
Keywords: انرژی پیوند; Morphogenesis; Elastic modulus; Adhesion energy; Surface tension; Stiffness; Binding energy;
Keywords: انرژی پیوند; Quantum wires; Binding energy; Cross section;
Keywords: انرژی پیوند; Li-S batteries; Conductive binder; Surface effect; Self-discharge; Binding energy; Cell failure;
Keywords: انرژی پیوند; Hydrazides; Molecular docking; Binding energy; Drug likeness score; Anti-tubercular
Keywords: انرژی پیوند; Bessel function; Binding energy; Ellipsoidal quantum dot; Polarization charge
Keywords: انرژی پیوند; Microwave; Permittivity spectra; DMSO-monohydric alcohol mixture; Hydrogen bond; Binding energy
Keywords: انرژی پیوند; Hydrogen storage; Binding energy; BSSE; Physisorption; Corannulene; Carbon nanostructure;
Keywords: انرژی پیوند; Binding energy; Stark shift; External electric field; Laser radiation; Spherical quantum dot; Nano-wire
Keywords: انرژی پیوند; Optical property; Nanostructure; Hemispherical quantum dot; Wetting layer; Hydrogenic donor impurity; Binding energy
Keywords: انرژی پیوند; CNT; carbon nanotubes; MWNT; multiwalled carbon nanotubes; LbL; layer-by-layer; SDS; sodiumdodecylsulfate; CTAB; cetyl trimethylammonium bromide; DI; deionized; EDC; 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide; Sulfo-NHS; N-hydroxysulfosuccinimide; XPS;
Keywords: انرژی پیوند; SWCNTs-TiO2 composite; Electron beam evaporation; Hydrogenation; Dehydrogenation; Binding energy
Keywords: انرژی پیوند; Virtual screening; Mandelate racemase; Binding energy; Transition state; Molecular dynamics simulation
Keywords: انرژی پیوند; Hydrogen storage; Binding energy; Physisorption; BSSE; Corannulene; Carbon nanostructure
Keywords: انرژی پیوند; CNT; Hydrogen storage; Adsorption; DFT; Binding energy; Density of states
Keywords: انرژی پیوند; Binding energy; Absorption coefficient; Refractive index changes; Oscillator strength; Donor impurity; Acceptor impurity
Keywords: انرژی پیوند; Hydrogen storage; Adsorption; DFT; Li-decoration; Binding energy; Defected graphene
Keywords: انرژی پیوند; Antibody; Antigen; Complex structure; Binding energy; Molecular dynamics simulation
Keywords: انرژی پیوند; Pyrazole; Crystal; Binding energy; NMR; NQR;
Keywords: انرژی پیوند; Ni-based superalloys; Partitioning ratio; Atom probe tomography; First-principles calculations; Binding energy;
Keywords: انرژی پیوند; Special relativity; Schwarzschild geodesics; Neutrinos; Baryons; Binding energy; QCD condensation temperature;
Keywords: انرژی پیوند; Binding energy; Impurity; Quantum dot; Photoionization cross-section;
Keywords: انرژی پیوند; Lanthanide; Charge transfer; Carrier trapping; Binding energy;
Keywords: انرژی پیوند; SWCNTs-Ti Composite; Hydrogen storage; Electron beam evaporation; Desorption temperature; Binding energy;
Keywords: انرژی پیوند; Barbell exciton; Coupled quantum wells; Binding energy; Oscillator strength; Radiative lifetime;
Keywords: انرژی پیوند; Off-center quantum dot; Binding energy; Parabolic potential; QGA and HFR method;
Keywords: انرژی پیوند; X-ray photoelectron spectroscopy (XPS); Surface composition; Composites with perovskite and fluorite structures; Oxidation state of cerium cations; Binding energy;
Keywords: انرژی پیوند; Aqueous-phase hydrogenation; Aqueous-phase hydrogenolysis; Binding energy; Biomass conversion; Heterogeneous catalysts; High-throughput;
Keywords: انرژی پیوند; Hartree–Fock–Bogoliubov method; Mo and Ru isotopes; Binding energy; Proton, neutron and charge radii; One- and two-neutron separation energies; Pairing gap; Quadrupole deformation
Keywords: انرژی پیوند; IR analysis; Molecular structure; Dissociation dynamics; Binding energy
Keywords: انرژی پیوند; 4-anilinoquinoline-3-carboxamide; EGFR-TK inhibitors; Pharmacophore; Docking study; Binding energy; Anti-proliferative activity;
ab initio study of the exo-hydrogenated single wall carbon nanotubes
Keywords: انرژی پیوند; Hydrogenation; Carbon nanotubes; Binding energy; Band structure; Chemisorption; Hydrogen storage;
Theoretical investigations into effects of adulteration crystal defect on properties of CL-20/TNT cocrystal explosive
Keywords: انرژی پیوند; Hexanitrohexaazaisowurtzitane/2,4,6-trinitrotoluene (CL-20/TNT) cocrystal explosive; Crystal defect; Binding energy; Energetic performance; Mechanical properties; Molecular dynamics;
Biexciton, negative and positive trions in strongly oblate ellipsoidal quantum dot
Keywords: انرژی پیوند; Oblate ellipsoidal quantum dot; Exciton; Biexciton; Trion; Binding energy; Recombination energy; Photoluminescence;
Pharmacoinformatics analysis of merbarone binding site in human topoisomerase IIα
Keywords: انرژی پیوند; Human topoisomerase IIα; Merbarone; Molecular dynamics; Virtual screening; DNA-Cleavage inhibitors; Binding energy;
Non-equilibrium effects in chaperone-assisted translocation of a stiff polymer
Keywords: انرژی پیوند; Polymer translocation; First passage time; Chaperone distribution; Binding energy; Nanopore; Non-equilibrium;
Insight into a conformation of the PNA-PNA duplex with (2â²R,4â²R)- and (2â²R,4â²S)-prolyl-(1S,2S)-2-aminocyclopentanecarboxylic acid backbones
Keywords: انرژی پیوند; Peptide nucleic acid; PNA conformation; Molecular dynamics simulation; Binding energy;
An XPS study into sulphur speciation in blue and green ultramarine
Keywords: انرژی پیوند; Raman spectroscopy; Ultramarine; Chromophore; X-ray photoelectron spectroscopy; Binding energy;
QM/MM analysis of effect of divalent metal ions on OPRT action
Keywords: انرژی پیوند; Quantum mechanics/molecular mechanics; Inhibitor; Divalent metal ions; Binding energy; Enzyme-substrate complex;
In-situ characterization by Near-Ambient Pressure XPS of the catalytically active phase of Pt/Al2O3 during NO and CO oxidation
Keywords: انرژی پیوند; ASC; ammonia slip catalyst; B.E.; binding energy; DOC; diesel oxidation catalyst; EDS; Energy Dispersive Spectroscopy; EGR; Exhaust Gas Recirculation; GC; gas chromatograph; HAADF; high-angle annular dark-field; ICP-OES; inductively coupled plasma-optical
Accurate ab initio investigation of the ground and some low-lying electronic states of boron monoiodide, BI, and its ions BI+ and BIâ
Keywords: انرژی پیوند; Boron monoiodide; MR-CISD; Binding energy; Electron affinity; Ionization potential;
Computational modeling of the photovoltaic activities in EABX3 (EAâ¯=â¯ethylammonium, Bâ¯=â¯Pb, Sn, Ge, Xâ¯=â¯Cl, Br, I) perovskite solar cells
Keywords: انرژی پیوند; Perovskite; Coupling constant; Electron driving force; Light harvesting efficiency; Exciton; Binding energy;
A description of vacancy complexes in an FCC solid solution within the framework of the CALPHAD Method
Keywords: انرژی پیوند; Binding energy; Associate model; Short range ordering; Monovacancy, divacancy;
Preparation of nanocrystalline ZnO/CoxOy and CNT/CoxOy bilayers for photoabsorption potential: XPS and some surface structural characterization
Keywords: انرژی پیوند; Bilayer structure; Photoemission spectroscopy; Nanocrystals; Binding energy; Polycrystalline; Photovoltaics;
The binding of calcium ion with different groups of superplasticizers studied by three DFT methods, B3LYP, M06-2X and M06
Keywords: انرژی پیوند; DFT; Calcium ion; Binding energy; Chemical reactivity; Electrophilic attack;
Reference binding energies of transition metal carbides by core-level x-ray photoelectron spectroscopy free from Ar+ etching artefacts
Keywords: انرژی پیوند; TiC; XPS; Magnetron sputtering; Binding energy; VC; CrC; NbC; ZrC; MoC; HfC; TaC; WC;