Keywords: خوشه های دو فلزی; Bimetallic clusters; DFT; HOMO-LUMO gap; Chemical hardness; Pseudopotential;
مقالات ISI خوشه های دو فلزی (ترجمه نشده)
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Au25 clusters as precursors for the synthesis of AuPd bimetallic nanoparticles with isolated atomic Pd-surface sites
Keywords: خوشه های دو فلزی; Bimetallic clusters; Activation; EXAFS spectroscopy; Isolated-atom catalysis; Hydrogenation;
Di-niobium gold clusters: Multiply-bonded Nb2 dimer coordinated equatorially by Au atoms
Keywords: خوشه های دو فلزی; Photoelectron spectroscopy; Bimetallic clusters; Gold; Niobium; Metal-metal bonding;
A density functional theory study of structural, electronic and magnetic properties of small PdnAg (nâ¯=â¯1-8) clusters
Keywords: خوشه های دو فلزی; Bimetallic clusters; PdnAg; Density functional theory;
Influence of noble metal dopants (MÂ =Â Ag, Au, Pd or Pt) on the stable structures of bimetallic Co-M clusters
Keywords: خوشه های دو فلزی; Bimetallic clusters; Stable structures; Geometrical optimization; Surface distribution;
Exploring the energy landscape of PtxAu115âx nanoalloys
Keywords: خوشه های دو فلزی; Bimetallic clusters; Multi-shell nanoalloys; Basin-hopping method; DFT calculations;
Interaction of H2 with gold-palladium binary clusters: Molecular and dissociative adsorption
Keywords: خوشه های دو فلزی; Bimetallic clusters; Hydrogen adsorption; Density functional theory; Gold-palladium;
DFT studies on Pt3M (MÂ =Â Pt, Ni, Mo, Ru, Pd, Rh) clusters for CO oxidation
Keywords: خوشه های دو فلزی; CO oxidation; Bimetallic clusters; Catalysis; Kinetics;
Electronic structure and thermochemical properties of neutral and anionic rhodium clusters Rhn, n = 2-13. Evolution of structures and stabilities of binary clusters RhmM (M = Fe, Co, Ni; m = 1-6)
Keywords: خوشه های دو فلزی; Growth mechanisms; Bimetallic clusters; Binding energy per atom; Dissociation energies;
Density functional study of CH3OH binding on small cationic CunAum+ (n + m ⩽ 5) clusters
Keywords: خوشه های دو فلزی; Bimetallic clusters; Density functional theory; Methanol adsorption;
Density functional study of AgnAum and AgnAum+ (n + m ⩽ 5) clusters interaction with a single S atom
Keywords: خوشه های دو فلزی; Bimetallic clusters; Density functional theory; Sulfur adsorption;
Density functional study of NOx binding on small AunCum (n + m â¤Â 5) clusters
Keywords: خوشه های دو فلزی; Bimetallic clusters; Density functional theory; NOx adsorption;
Density functional study of H2S binding on small cationic AgnAum+ (n + m ⩽ 5) clusters
Keywords: خوشه های دو فلزی; Bimetallic clusters; Density functional theory; H2S adsorption;
Effect of the presence of tin on inhibition of CO adsorption on Ni4Sn bimetallic clusters
Keywords: خوشه های دو فلزی; CO adsorption; Bimetallic clusters; Nickel–Tin catalysts; Density functional theory calculations
Bimetallic Pt-Pd/silica-alumina hydrotreating catalysts - Part I: Physicochemical characterization
Keywords: خوشه های دو فلزی; Pt-Pd catalysts; Amorphous silica-alumina; Bimetallic clusters;
Density functional study of NO binding on small AgnPdm (n + m ⩽ 5) clusters
Keywords: خوشه های دو فلزی; Bimetallic clusters; Density functional theory; NO adsorption;
A theoretical study of the atomic hydrogen binding on small AgnCum (n + m ⩽ 5) clusters
Keywords: خوشه های دو فلزی; Bimetallic clusters; Density functional theory; Hydrogen adsorption;
Density functional study of CO binding on small AgnPdm clusters
Keywords: خوشه های دو فلزی; Bimetallic clusters; Density functional theory; CO adsorption;
Structures of small YnAlm clusters (n + m ⩽ 6): A DFT study
Keywords: خوشه های دو فلزی; Bimetallic clusters; DFT methods; Electronic properties; Aluminum clusters; Structure and stability;
Ab initio study of small AunY2 (n=1-4) clusters
Keywords: خوشه های دو فلزی; 61.46.+w; 71.24.+q; 31.15.ct; First-principle method; Geometrical configuration; Au-Y clusters; Bimetallic clusters;
Structures of small NixTiy (x + y ⩽ 5) clusters: A DFT study
Keywords: خوشه های دو فلزی; Bimetallic clusters; DFT methods; Structures; Nitinol; Vibrational frequencies; Electronic properties;
A density-functional study of nickel/aluminum microclusters
Keywords: خوشه های دو فلزی; Bimetallic clusters; AlNi; DFT; Electronic properties;
First principle calculation on AunPt2 (n=1-4) clusters
Keywords: خوشه های دو فلزی; 61.46.+w; 71.24.+q; 31.15.ct; Au-Pt clusters; Geometrical configuration; Bimetallic clusters;
Structural transition and magnetic properties of ComPtn (m+n=38) clusters
Keywords: خوشه های دو فلزی; 36.40.Cg; 71.15.Mb; 61.46.+w; 75.75.+a; Bimetallic clusters; Structural transition; Magnetic properties;
Site segregation in size-mismatched nanoalloys: Application to Cu-Ag
Keywords: خوشه های دو فلزی; Bimetallic clusters; Surface segregation; Copper; Silver; Alloys;
Theoretical study on the aromaticity of the bimetallic clusters X2M2 (X=Si, Ge, M=Al, Ga)
Keywords: خوشه های دو فلزی; Bimetallic clusters; Aromaticity; Magnetic susceptibilities; NICS;
Ab initio study of small AunPd2 (n=1-4) clusters
Keywords: خوشه های دو فلزی; 61.46.+w; 71.24.+q; 31.15.ct; Au-Pd clusters; Geometrical configuration; Ab initio methods; Bimetallic clusters;
Mechanistic study of water-gas-shift reaction over TiO2 supported Pt-Re and Pd-Re catalysts
Keywords: خوشه های دو فلزی; Water-gas-shift reaction; Pt-Re/TiO2 catalyst; Pd-Re/TiO2 catalyst; Bimetallic clusters;