Lista de obras - Frederik Tielens - 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

An experimental and theoretical approach to investigate the effect of chain length on aminothiol adsorption and assembly on gold.

artículo científico publicado en 2015

Characterization of Phosphate Species on Hydrated Anatase TiO2 Surfaces.

artículo científico publicado en 2016

Characterization of molybdenum monomeric oxide species supported on hydroxylated silica: a DFT study.

artículo científico publicado en 2014

Characterization of tungsten monomeric oxide species supported on hydroxylated silica; a DFT study

artículo científico publicado en 2016

Characterization of two-dimensional chiral self-assemblies L- and D-methionine on Au(111).

artículo científico publicado en 2013

Comparison of competition between T=O and T–OH groups in vanadium, niobium, tantalum BEA zeolite and SOD based zeolites

article

DFT study of oxygen adsorption on modified nanostructured gold pyramids

DFT study of the adsorption of microsolvated glycine on a hydrophilic amorphous silica surface

artículo científico publicado en 2008

Design and Synthesis of Gold-Gadolinium-Core-Shell Nanoparticles as Contrast Agent: a Smart Way to Future Nanomaterials for Nanomedicine Applications

scientific article published on 29 November 2019

Dibenzyl Disulfide Adsorption on Cationic Exchanged Faujasites: A DFT Study.

artículo científico publicado en 2019

Does the S-H Bond Always Break after Adsorption of an Alkylthiol on Au(111)?

artículo científico publicado en 2016

Drastic Au(111) surface reconstruction upon insulin growth factor tripeptide adsorption

artículo científico publicado en 2012

Effect of coverage and defects on the adsorption of propanethiol on Au(111) surface: a theoretical study

scientific article published on 01 November 2011

Experimental and density functional theory study of the vibrational properties of 2-mercaptobenzimidazole in interaction with gold

artículo científico publicado en 2006

Exploring the molecular structure of imidazolium-silica-based nanoparticle networks by combining solid-state NMR spectroscopy and first-principles calculations

artículo científico publicado en 2014

Exploring the reactivity of framework vanadium, niobium, and tantalum sites in zeolitic materials using DFT reactivity descriptors

artículo científico publicado en 2009

Gold Grafted to Mesoporous Silica Surfaces, a Molecular Picture

Hydration in silica based mesoporous materials: a DFT model

artículo científico publicado en 2016

Investigation of the interface in silica-encapsulated liposomes by combining solid state NMR and first principles calculations

artículo científico publicado en 2011

Ionic nanoparticle networks: development and perspectives in the landscape of ionic liquid based materials

artículo científico publicado en 2014

Isolated Chromium(VI) Oxide Species Supported on Al-Modified Silica: A Molecular Description

artículo científico publicado en 2016

Methanol Oxidation to Formaldehyde on VSiBEA Zeolite: A Combined DFT/vdW/Transition Path Sampling and Experimental Study

artículo científico publicado en 2015

Modeling study of the influences of the aromatic transitions and the local environment on the far-UV rotational strengths in TEM-1 beta-lactamase

artículo científico publicado en 2005

Nanophase Segregation of Self-Assembled Monolayers on Gold Nanoparticles.

artículo científico publicado en 2017

Nature of vanadium species in V substituted zeolites: A combined experimental and theoretical study

article

Oxygen adsorption on gold nanofacets and model clusters

artículo científico publicado en 2006

Probing Acid–Base Properties in Group V Aluminum Containing Zeolites

scholarly article by Anna Wojtaszek et al published 10 January 2012 in Journal of Physical Chemistry C

Reactivity of gold nanoparticles towards N-heterocyclic carbenes

artículo científico publicado en 2014

Self-assembly of (S)-glutamic acid on Ag(100): a combined LT-STM and ab initio investigation.

artículo científico publicado en 2010

Stability of binary SAMs formed by omega-acid and alcohol functionalized thiol mixtures.

artículo científico publicado en 2009

Stability of nanostructured silver-platinum alloys

Structure of Monomeric Chromium(VI) Oxide Species Supported on Silica: Periodic and Cluster DFT Studies

artículo científico publicado en 2013

Structure of clean and hydrated α-Al2O3 (11̄02) surfaces: implication on surface charge

article

Supported and inserted monomeric niobium oxide species on/in silica: a molecular picture

artículo científico publicado en 2015

The Formation of Gold Clusters Supported on Mesoporous Silica Material Surfaces: A Molecular Picture

The amorphous silica-liquid water interface studied by ab initio molecular dynamics (AIMD): local organization in global disorder

artículo científico publicado en 2014

Theoretical and experimental insight into zinc loading on mesoporous silica

Understanding the Role of Rutile TiO2 Surface Orientation on Molecular Hydrogen Activation

scientific article published on 26 August 2019

Unraveling the self-assembly of the (S)-glutamic acid "flower" structure on Ag(100)

scientific article published on 06 June 2013

Whewellite, CaC2O4⋅H2O: structural study by a combined NMR, crystallography and modelling approach

scholarly article by Hélène Colas et al published 2013 in CrystEngComm

Lista de obras de Frederik Tielens

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

An experimental and theoretical approach to investigate the effect of chain length on aminothiol adsorption and assembly on gold.

Characterization of Phosphate Species on Hydrated Anatase TiO2 Surfaces.

Characterization of molybdenum monomeric oxide species supported on hydroxylated silica: a DFT study.

Characterization of tungsten monomeric oxide species supported on hydroxylated silica; a DFT study

Characterization of two-dimensional chiral self-assemblies L- and D-methionine on Au(111).

Comparison of competition between T=O and T–OH groups in vanadium, niobium, tantalum BEA zeolite and SOD based zeolites

DFT study of oxygen adsorption on modified nanostructured gold pyramids

DFT study of the adsorption of microsolvated glycine on a hydrophilic amorphous silica surface

Design and Synthesis of Gold-Gadolinium-Core-Shell Nanoparticles as Contrast Agent: a Smart Way to Future Nanomaterials for Nanomedicine Applications

Dibenzyl Disulfide Adsorption on Cationic Exchanged Faujasites: A DFT Study.

Does the S-H Bond Always Break after Adsorption of an Alkylthiol on Au(111)?

Drastic Au(111) surface reconstruction upon insulin growth factor tripeptide adsorption

Effect of coverage and defects on the adsorption of propanethiol on Au(111) surface: a theoretical study

Experimental and density functional theory study of the vibrational properties of 2-mercaptobenzimidazole in interaction with gold

Exploring the molecular structure of imidazolium-silica-based nanoparticle networks by combining solid-state NMR spectroscopy and first-principles calculations

Exploring the reactivity of framework vanadium, niobium, and tantalum sites in zeolitic materials using DFT reactivity descriptors

Gold Grafted to Mesoporous Silica Surfaces, a Molecular Picture

Hydration in silica based mesoporous materials: a DFT model

Investigation of the interface in silica-encapsulated liposomes by combining solid state NMR and first principles calculations

Ionic nanoparticle networks: development and perspectives in the landscape of ionic liquid based materials

Isolated Chromium(VI) Oxide Species Supported on Al-Modified Silica: A Molecular Description

Methanol Oxidation to Formaldehyde on VSiBEA Zeolite: A Combined DFT/vdW/Transition Path Sampling and Experimental Study

Modeling study of the influences of the aromatic transitions and the local environment on the far-UV rotational strengths in TEM-1 beta-lactamase

Nanophase Segregation of Self-Assembled Monolayers on Gold Nanoparticles.

Nature of vanadium species in V substituted zeolites: A combined experimental and theoretical study

Oxygen adsorption on gold nanofacets and model clusters

Probing Acid–Base Properties in Group V Aluminum Containing Zeolites

Reactivity of gold nanoparticles towards N-heterocyclic carbenes

Self-assembly of (S)-glutamic acid on Ag(100): a combined LT-STM and ab initio investigation.

Stability of binary SAMs formed by omega-acid and alcohol functionalized thiol mixtures.

Stability of nanostructured silver-platinum alloys

Structure of Monomeric Chromium(VI) Oxide Species Supported on Silica: Periodic and Cluster DFT Studies

Structure of clean and hydrated α-Al2O3 (11̄02) surfaces: implication on surface charge

Supported and inserted monomeric niobium oxide species on/in silica: a molecular picture

The Formation of Gold Clusters Supported on Mesoporous Silica Material Surfaces: A Molecular Picture

The amorphous silica-liquid water interface studied by ab initio molecular dynamics (AIMD): local organization in global disorder

Theoretical and experimental insight into zinc loading on mesoporous silica

Understanding the Role of Rutile TiO2 Surface Orientation on Molecular Hydrogen Activation

Unraveling the self-assembly of the (S)-glutamic acid "flower" structure on Ag(100)

Whewellite, CaC2O4⋅H2O: structural study by a combined NMR, crystallography and modelling approach