Lista de obras - Guido Raos - Dominio Público Uruguay

A solid state density functional study of crystalline thiophene-based oligomers and polymers

artículo científico publicado en 2012

An Effective Two-Orbital Quantum Chemical Model for Organic Photovoltaic Materials

scientific article published on 01 January 2014

Association and Diffusion of Li(+) in Carboxymethylcellulose Solutions for Environmentally Friendly Li-ion Batteries

artículo científico publicado en 2016

Atomistic modelling of entropy driven phase transitions between different crystal modifications in polymers: the case of poly(3-alkylthiophenes)

scientific article published on 01 November 2018

Blending ionic liquids: how physico-chemical properties change

artículo científico publicado en 2010

Computational 17O-NMR spectroscopy of organic acids and peracids: comparison of solvation models

artículo científico publicado en 2013

Conformational Analysis of 2,2‘-Bithiophene: A1H Liquid Crystal NMR Study Using the13C Satellite Spectra

artículo científico publicado en 2005

Effects of chemically heterogeneous nanoparticles on polymer dynamics: insights from molecular dynamics simulations.

artículo científico publicado en 2018

Equilibrium dynamics of an associating polymer melt in narrow slits by computer simulation

artículo científico publicado en 2007

Free energies of molecular crystal surfaces by computer simulation: application to tetrathiophene

artículo científico publicado en 2006

From Nanoscale to Microscale: Crossover in the Diffusion Dynamics within Two Pyrrolidinium-Based Ionic Liquids.

artículo científico publicado en 2017

From dioxin to dioxin congeners: understanding the differences in hydrophobic aggregation in water and absorption into lipid membranes by means of atomistic simulations.

artículo científico publicado en 2016

Functionalized Oligothiophenes for Optoelectronic Applications: 3‘,4‘,3‘ ‘‘,4‘ ‘‘-Tetra [(methoxycarbonyl)methyl]-2,2‘:5‘,2‘ ‘:5‘ ‘,2‘ ‘‘:5‘ ‘‘,2‘ ‘‘ ‘-quinquithiophene and Related Polymers

Glassy dynamics of a polymer monolayer on a heterogeneous disordered substrate

artículo científico publicado en 2015

Hydrophobic aggregation and collective absorption of dioxin into lipid membranes: insights from atomistic simulations

artículo científico publicado en 2014

Influence of wall heterogeneity on nanoscopically confined polymers

artículo científico publicado en 2019

Interaction of water with the model ionic liquid [bmim][BF4]: molecular dynamics simulations and comparison with NMR data

artículo científico publicado en 2008

Intramolecular CH/π interactions in alkylaromatics: Monomer conformations for poly(3-alkylthiophene) atomistic models

Magnetic Resonance Imaging and Molecular Dynamics Characterization of Ionic Liquid in Poly(ethylene oxide)-Based Polymer Electrolytes

artículo científico publicado en 2020

Methodological assessment of kinetic Monte Carlo simulations of organic photovoltaic devices: the treatment of electrostatic interactions.

artículo científico publicado en 2010

Modeling of molecular packing and conformation in oligofluorenes

scientific article published on 01 March 2006

Molecular dynamics simulation of rupture in glassy polymer bridges within filler aggregates

artículo científico publicado en 2012

Molecular modeling of crystalline alkylthiophene oligomers and polymers.

artículo científico publicado en 2010

Nonequilibrium simulations of filled polymer networks: searching for the origins of reinforcement and nonlinearity

artículo científico publicado en 2011

Numerical simulation of photocurrent generation in bilayer organic solar cells: Comparison of master equation and kinetic Monte Carlo approaches

artículo científico publicado en 2013

Organic peracids: a structural puzzle for 17O NMR and ab initio chemical shift calculations

artículo científico publicado en 2012

Organic−Organic Epitaxy of Incommensurate Systems: Quaterthiophene on Potassium Hydrogen Phthalate Single Crystals

artículo científico publicado en 2006

Pyrazolium- versus imidazolium-based ionic liquids: structure, dynamics and physicochemical properties

artículo científico publicado en 2013

Pyrrolidinium-based ionic liquids doped with lithium salts: how does Li(+) coordination affect its diffusivity?

artículo científico publicado en 2014

Role of desorption in the growth process of molecular organic thin films

artículo científico publicado en 2005

Sliding friction between polymer surfaces: a molecular interpretation.

artículo científico publicado en 2006

Solvent-free phenyl-C61-butyric acid methyl ester (PCBM) from clathrates: insights for organic photovoltaics from crystal structures and molecular dynamics

scientific article published on 11 April 2013

Structural organization and transport properties of novel pyrrolidinium-based ionic liquids with perfluoroalkyl sulfonylimide anions.

artículo científico publicado en 2009

Structure of an associating polymer melt in a narrow slit by molecular dynamics simulation

scientific article published on 01 September 2005

Surface Reconstructions in Organic Crystals: Simulations of the Effect of Temperature and Defectivity on Bulk and (001) Surfaces of 2,2':6',2″-Ternaphthalene

artículo científico publicado en 2015

The Local Structure of Ionic Liquids: Cation–Cation NOE Interactions and Internuclear Distances in Neat [BMIM][BF4] and [BDMIM][BF4]

artículo científico publicado en 2006

The effect of donor content on the efficiency of P3HT:PCBM bilayers: optical and photocurrent spectral data analyses.

artículo científico publicado en 2014

Tunable interaction potentials and morphology of polymer-nanoparticle blends

artículo científico publicado en 2020

Lista de obras de Guido Raos

A solid state density functional study of crystalline thiophene-based oligomers and polymers

An Effective Two-Orbital Quantum Chemical Model for Organic Photovoltaic Materials

Association and Diffusion of Li(+) in Carboxymethylcellulose Solutions for Environmentally Friendly Li-ion Batteries

Atomistic modelling of entropy driven phase transitions between different crystal modifications in polymers: the case of poly(3-alkylthiophenes)

Blending ionic liquids: how physico-chemical properties change

Computational 17O-NMR spectroscopy of organic acids and peracids: comparison of solvation models

Conformational Analysis of 2,2‘-Bithiophene: A1H Liquid Crystal NMR Study Using the13C Satellite Spectra

Effects of chemically heterogeneous nanoparticles on polymer dynamics: insights from molecular dynamics simulations.

Equilibrium dynamics of an associating polymer melt in narrow slits by computer simulation

Free energies of molecular crystal surfaces by computer simulation: application to tetrathiophene

From Nanoscale to Microscale: Crossover in the Diffusion Dynamics within Two Pyrrolidinium-Based Ionic Liquids.

From dioxin to dioxin congeners: understanding the differences in hydrophobic aggregation in water and absorption into lipid membranes by means of atomistic simulations.

Functionalized Oligothiophenes for Optoelectronic Applications: 3‘,4‘,3‘ ‘‘,4‘ ‘‘-Tetra [(methoxycarbonyl)methyl]-2,2‘:5‘,2‘ ‘:5‘ ‘,2‘ ‘‘:5‘ ‘‘,2‘ ‘‘ ‘-quinquithiophene and Related Polymers

Glassy dynamics of a polymer monolayer on a heterogeneous disordered substrate

Hydrophobic aggregation and collective absorption of dioxin into lipid membranes: insights from atomistic simulations

Influence of wall heterogeneity on nanoscopically confined polymers

Interaction of water with the model ionic liquid [bmim][BF4]: molecular dynamics simulations and comparison with NMR data

Intramolecular CH/π interactions in alkylaromatics: Monomer conformations for poly(3-alkylthiophene) atomistic models

Magnetic Resonance Imaging and Molecular Dynamics Characterization of Ionic Liquid in Poly(ethylene oxide)-Based Polymer Electrolytes

Methodological assessment of kinetic Monte Carlo simulations of organic photovoltaic devices: the treatment of electrostatic interactions.

Modeling of molecular packing and conformation in oligofluorenes

Molecular dynamics simulation of rupture in glassy polymer bridges within filler aggregates

Molecular modeling of crystalline alkylthiophene oligomers and polymers.

Nonequilibrium simulations of filled polymer networks: searching for the origins of reinforcement and nonlinearity

Numerical simulation of photocurrent generation in bilayer organic solar cells: Comparison of master equation and kinetic Monte Carlo approaches

Organic peracids: a structural puzzle for 17O NMR and ab initio chemical shift calculations

Organic−Organic Epitaxy of Incommensurate Systems: Quaterthiophene on Potassium Hydrogen Phthalate Single Crystals

Pyrazolium- versus imidazolium-based ionic liquids: structure, dynamics and physicochemical properties

Pyrrolidinium-based ionic liquids doped with lithium salts: how does Li(+) coordination affect its diffusivity?

Role of desorption in the growth process of molecular organic thin films

Sliding friction between polymer surfaces: a molecular interpretation.

Solvent-free phenyl-C61-butyric acid methyl ester (PCBM) from clathrates: insights for organic photovoltaics from crystal structures and molecular dynamics

Structural organization and transport properties of novel pyrrolidinium-based ionic liquids with perfluoroalkyl sulfonylimide anions.

Structure of an associating polymer melt in a narrow slit by molecular dynamics simulation

Surface Reconstructions in Organic Crystals: Simulations of the Effect of Temperature and Defectivity on Bulk and (001) Surfaces of 2,2':6',2″-Ternaphthalene

The Local Structure of Ionic Liquids: Cation–Cation NOE Interactions and Internuclear Distances in Neat [BMIM][BF4] and [BDMIM][BF4]

The effect of donor content on the efficiency of P3HT:PCBM bilayers: optical and photocurrent spectral data analyses.

Tunable interaction potentials and morphology of polymer-nanoparticle blends