Buscar
Mostrando ítems 41-50 de 512
Aurophilic attraction: The additivity and the combination with hydrogen bonds
(2003)
The coexistence of gold-gold contacts and hydrogen bonding is studied in the model system [H2P(OH)AuCl]2 and [H2P(OH)AuPH2(O)]2. The two interactions are found to be comparable. The possible non-additivity of the aurophilic, ...
Caracterización de la litología, alteración y mineralización del cluster del pórfidos Au-Cu Luciano, Distrito Minero Casale, III Region de Atacama, Chile
(Universidad de Chile, 2014)
El Distrito Minero Casale se encuentra ubicado en la porción sur de la Franja de Maricunga, el cual corresponde a un cluster de pórfidos Au-Cu con edades entre los 23 y 12 Ma. Este incluye los depósitos porfídicos Au-Cu ...
Structure and reactivity of the (1)Au6Pt clusters
(AMER CHEMICAL SOC, 2010-10-07)
In this paper we report the geometries, properties, and reactivity descriptors of 12 structural isomers located on the MP2/SDDALL potential energy surface of the (1)Au(6)Pt binary clusters. A nonplanar, D(3d) symmetry, ...
Utilização de algoritmo genético para a determinação da estabilidade de aglomerados atômicos e as aplicações destes com grafeno
(Universidade Federal de Santa MariaBrasilFísicaUFSMPrograma de Pós-Graduação em FísicaCentro de Ciências Naturais e Exatas, 2017-01-31)
In this thesis we propose a improvement of the Genetic Algorithm (GA) method that is used to
search the stability of geometry of atomic clusters. The proposed improvements consist by introducing
two new operators: the ...
Dynamics of RS-(Au-SR)x staple motifs on metal surfaces: From nanoclusters to 2D surfaces
(American Chemical Society, 2020-02-06)
Limited stability of metal nanoparticles hinders their long-term uses and applications. For metal nanoclusters, this is even more critical, as physicochemical properties rely on the structure of only a few hundred atoms. ...
Theoretical study on electronic spectra and interaction in [Au 3]-L-[Au3] (L = C6F6,Ag+) complexes
(2013)
The electronic structure and spectroscopic properties of [Au 3(μ-C(OEt) = NC6H4CH3) 3]n-(C6F6)m and [Au 3(μ-C2,N3-bzim)3] n-(Ag+)m were studied at the B3LYP, PBE and TPSS levels. The interaction between the [Au3] cluster ...
Interação entre DNA e nanoaglomerados de Au e Ag: propriedades ópticas por meio da DFT
(Universidade Federal de Minas GeraisUFMG, 2015-07-09)
In this work, the study of optical properties due to the interaction between DNA and nanoclusters of Ag, Au, and Ag-Au mixed is performed by the Density Functional Theory (DFT). The formation of these complexes and ...
Estudio de estructuras de cis- y trans-estilbeno mediante microscopia de fuerza atómicaStudy of cis- and trans-stilbene structures by atomic force microscopy
(Universidade Federal do Rio de Janeiro, 2015-07)
La nanotecnología es un área multidisciplinaria que ha tenido un gran auge en los últimos años, principalmente debido al desarrollo de instrumental que permite "ver", estudiar y manipular la materia a nivel atómico y ...
Investigação de parâmetros de síntese e de potencialidades dos sistemas de nanopartículas de ouro empregando Pluronic F127 e Pluronic F127 tiolado como redutor/estabilizadorInvestigation of some parameters of synthesis and potentialities of gold nanoparticles prepared by Pluronic F127 and thiolated Pluronic F127
(Universidade Federal de SergipePós-Graduação em Ciência e Engenharia de MateriaisBRUFS, 2017)