Keywords: انرژی جذب; Carbon nanotubes; Polylithiated molecules; Hydrogen storage; Energetics analysis; Charge transfer; Adsorption energies;
مقالات ISI انرژی جذب (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
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در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
Keywords: انرژی جذب; DFT calculation; Fullerene; Brain anticancer drugs; Adsorption energies; Reactivity descriptors;
On enhanced hydrogen adsorption on alkali (cesium) doped C60 and effects of the quantum nature of the H2 molecule on physisorption energies
Keywords: انرژی جذب; Hydrogen storage; Physisorption; Alkali; Fullerene; Adsorption energies; Helium droplet experiment and DFT theory;
Penetration and diffusion of hydrogen in Mg2Ni: A first-principles investigation
Keywords: انرژی جذب; Mg2Ni; Hydrogen penetration and diffusion; Adsorption energies; Diffusion rates;
Core-level binding energy shifts as a tool to study surface processes on LaAlO3/SrTiO3
Keywords: انرژی جذب; Core level binding energy shifts; XPS; Density functional calculations; Adsorption energies; LaAlO3;
The role of vdW interactions in coverage dependent adsorption energies of atomic adsorbates on Pt(111) and Pd(111)
Keywords: انرژی جذب; Density functional theory; Late transition metals; Adsorption energies; van der Waals interactions; Coverage dependence;
A quasi-SMILES based QSPR Approach towards the prediction of adsorption energy of Ziegler â Natta catalysts for propylene polymerization
Keywords: انرژی جذب; Propylene polymerization; Quantitative structure-property relationships; Quasi-SMILES; adsorption energies; Modeling and simulation;
DFT study of the formation of Cd-Ag surface alloys on Ag surfaces
Keywords: انرژی جذب; Adsorption energies; Cadmium; Silver; Surface alloy; Density functional calculations; Underpotential deposition;
Insights into the mechanisms of CO2 methanation on Ni(111) surfaces by density functional theory
Keywords: انرژی جذب; CO2 methanation; Ni(111) surface; Adsorption energies; Energy barriers; Density functional theory;
A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals
Keywords: انرژی جذب; Adsorption energies; Benchmarking; Density functional theory; Catalysis; Van der Waals;
Thermodynamics and kinetics of CO and benzene adsorption on Pt(111) studied with pulsed molecular beams and microcalorimetry
Keywords: انرژی جذب; Microcalorimetry; Sticking probability; Adsorption energies; Carbon monoxide; Benzene; Pt(111);
3D structure-based protein retention prediction for ion-exchange chromatography
Keywords: انرژی جذب; Protein dynamics; Adsorption energies; Binding orientation; Lysozyme; Retention volume prediction; Ribonuclease A
CO adsorption energies on metals with correction for high coordination adsorption sites - A density functional study
Keywords: انرژی جذب; Density functional calculations; Carbon monoxide; Adsorption energies; Overbinding; Blyholder model; Correction;