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DFT normal modes of vibration of the Au20 clusterDFT normal modes of vibration of the Au20 cluster
(Revista Mexicana de Física, 2009)
On the structure of the Au18(SR)14 cluster
(Royal Society of Chemistry, 2012)
Cluster size Effects in the surface-enhanced Raman scattering response of Ag and Au nanoparticle aggregates: experimental and theoretical insight
(American Chemical Society, 2013-10)
In this work we report the spectral evolution of the surface-enhanced Raman scattering (SERS) response of biotin molecules that generate the assembly of Ag and Au nanospheres (NSs) into clusters with controlled interparticle ...
Ammonia borane dehydrogenation tendencies using Pt4, Au4, and Pt2Au2 clusters as catalysts
(Elsevier B.V., 2019)
Small metallic clusters -mediated gas phase catalysis studies give lights to understand simple and complex catalytic processes, and help in the discovery and explanation of non-traditional “molecular-scale” catalytic ...
Catalisadores de Au/ZrO2 e Au/In2O3/ZrO2: Efeito das propriedades eletrônicas e estruturais na atividade para desidrogenação do etanol e hidrogenação de CO2
(Universidade Federal de São CarlosUFSCarPrograma de Pós-Graduação em Engenharia Química - PPGEQCâmpus São Carlos, 2022-10-28)
Au/ZrO2 and Au/In2O3/ZrO2 catalysts were developed for CO2 hydrogenation reaction and Au/ZrO2 for ethanol dehydrogenation. The monometallic gold catalysts supported on ZrO2 with different contents (0.3 to 5.0%w/w) were ...
Electronic and optical properties of [Au(CH3CSS)](4)cluster. A quantum chemistry study
(Royal Society of Chemistry, 2020)
The uses of the sulfur-gold bond in the design of new molecular clusters have gained increasing attention in recent years. Their size and shape are diverse providing a wide variety of optical and electronic properties. ...
Ligand effects on the optical and chiroptical properties of the thiolated Au18cluster
(Royal Society of Chemistry, 2016)
Nature of mercury inclusion in intermediate 6-valence electron [M@Au8Hgx(PPh3)(8)](n+) (M = Au, Pd, Pt; x=0-2) protected gold superatoms: Insights from relativistic density functional theory calculations
(Facultad de Ingeniería y Tecnología, 2020)
Superatomic clusters offer useful templates displaying distinctive physical and chemical characteristics. Here, we explore the [M@Au-8(PPh3)(8)](n+) (M = Au, n = 3; Pd, Pt, n = 2) robust framework to gain an understanding ...
Caracterizacion de la interaccion entre Cluster de Au(n) y aminoacidos azufrados
(Universidad de Talca (Chile). Escuela de Ingenieria en Bioinformatica, 2010)
Au13-nAgn clusters: a remarkably simple trend
(Royal Soc Chemistry, 2015)
The planar to three dimensional transition of Au13-nAgn clusters is investigated. To do so the low
lying energy configurations for all possible concentrations (n values) are evaluated. Many
thousands of possible conformations ...