Lista de obras - Lourdes Gracia - Dominio Público Uruguay

A theoretical study on the electronic structure of Au-XO(0,-1,+1) (X=C, N, and O) complexes: effect of an external electric field

scientific article published on 17 November 2007

CaSO4 and its pressure-induced phase transitions. A density functional theory study

artículo científico publicado en 2011

Characterization of the high-pressure structures and phase transformations in SnO2. A density functional theory study.

artículo científico publicado en 2007

Composition Dependence of the Energy Barrier for Lithium Diffusion in Amorphous WO[sub 3]

article

Computational Chemistry Meets Experiments for Explaining the Geometry, Electronic Structure, and Optical Properties of Ca10V6O25

scientific article published on 29 November 2018

Density functional theory study of the brookite surfaces and phase transitions between natural titania polymorphs

artículo científico publicado en 2006

Density functional theory study of the oxidation of methanol to formaldehyde on a hydrated vanadia cluster

artículo científico publicado en 2010

Effects of chemical substitution on the structural and optical properties of α-Ag2-2xNixWO4 (0 ≤ x ≤ 0.08) solid solutions.

artículo científico publicado en 2016

Effects of surface stability on the morphological transformation of metals and metal oxides as investigated by first-principles calculations.

artículo científico publicado en 2015

Experimental and theoretical study of the energetic, morphological, and photoluminescence properties of CaZrO3:Eu3+

Formation of Ag Nanoparticles on β-Ag2WO4 through Electron Beam Irradiation: A Synergetic Computational and Experimental Study

artículo científico publicado en 2016

High-pressure behaviour of selenium-based spinels and related structures—an experimental and theoretical study

Identifying and rationalizing the morphological, structural, and optical properties of [Formula: see text]-Ag2MoO4 microcrystals, and the formation process of Ag nanoparticles on their surfaces: combining experimental data and first-principles [...]

artículo científico publicado en 2015

In situ Transmission Electron Microscopy observation of Ag nanocrystal evolution by surfactant free electron-driven synthesis.

artículo científico publicado en 2016

In situ growth of Ag nanoparticles on α-Ag2WO4 under electron irradiation: probing the physical principles.

artículo científico publicado en 2016

Mechanism of Antibacterial Activity via Morphology Change of α-AgVO3: Theoretical and Experimental Insights.

artículo científico publicado en 2017

Prediction of dopant atom distribution on nanocrystals using thermodynamic arguments.

artículo científico publicado en 2013

Structural study of α-Bi2O3 under pressure

artículo científico publicado en 2013

Structure, electronic properties, morphology evolution, and photocatalytic activity in PbMoO4 and Pb1-2xCaxSrxMoO4 (x = 0.1, 0.2, 0.3, 0.4 and 0.5) solid solutions

artículo científico publicado en 2020

Synthesis and characterization of metastable β-Ag2WO4: an experimental and theoretical approach

artículo científico publicado en 2015

Synthesis, antifungal evaluation and optical properties of silver molybdate microcrystals in different solvents: a combined experimental and theoretical study

artículo científico publicado en 2016

Theoretical and Experimental Insight on Ag2CrO4 Microcrystals: Synthesis, Characterization, and Photoluminescence Properties

artículo científico publicado en 2016

Theoretical study on the reaction mechanism of VO2+ with propyne in gas phase.

artículo científico publicado en 2008

ZnWO4 nanocrystals: synthesis, morphology, photoluminescence and photocatalytic properties.

artículo científico publicado en 2018

Lista de obras de Lourdes Gracia

A theoretical study on the electronic structure of Au-XO(0,-1,+1) (X=C, N, and O) complexes: effect of an external electric field

CaSO4 and its pressure-induced phase transitions. A density functional theory study

Characterization of the high-pressure structures and phase transformations in SnO2. A density functional theory study.

Composition Dependence of the Energy Barrier for Lithium Diffusion in Amorphous WO[sub 3]

Computational Chemistry Meets Experiments for Explaining the Geometry, Electronic Structure, and Optical Properties of Ca10V6O25

Density functional theory study of the brookite surfaces and phase transitions between natural titania polymorphs

Density functional theory study of the oxidation of methanol to formaldehyde on a hydrated vanadia cluster

Effects of chemical substitution on the structural and optical properties of α-Ag2-2xNixWO4 (0 ≤ x ≤ 0.08) solid solutions.

Effects of surface stability on the morphological transformation of metals and metal oxides as investigated by first-principles calculations.

Experimental and theoretical study of the energetic, morphological, and photoluminescence properties of CaZrO3:Eu3+

Formation of Ag Nanoparticles on β-Ag2WO4 through Electron Beam Irradiation: A Synergetic Computational and Experimental Study

High-pressure behaviour of selenium-based spinels and related structures—an experimental and theoretical study

Identifying and rationalizing the morphological, structural, and optical properties of [Formula: see text]-Ag2MoO4 microcrystals, and the formation process of Ag nanoparticles on their surfaces: combining experimental data and first-principles [...]

In situ Transmission Electron Microscopy observation of Ag nanocrystal evolution by surfactant free electron-driven synthesis.

In situ growth of Ag nanoparticles on α-Ag2WO4 under electron irradiation: probing the physical principles.

Mechanism of Antibacterial Activity via Morphology Change of α-AgVO3: Theoretical and Experimental Insights.

Prediction of dopant atom distribution on nanocrystals using thermodynamic arguments.

Structural study of α-Bi2O3 under pressure

Structure, electronic properties, morphology evolution, and photocatalytic activity in PbMoO4 and Pb1-2xCaxSrxMoO4 (x = 0.1, 0.2, 0.3, 0.4 and 0.5) solid solutions

Synthesis and characterization of metastable β-Ag2WO4: an experimental and theoretical approach

Synthesis, antifungal evaluation and optical properties of silver molybdate microcrystals in different solvents: a combined experimental and theoretical study

Theoretical and Experimental Insight on Ag2CrO4 Microcrystals: Synthesis, Characterization, and Photoluminescence Properties

Theoretical study on the reaction mechanism of VO2+ with propyne in gas phase.

ZnWO4 nanocrystals: synthesis, morphology, photoluminescence and photocatalytic properties.