Lista de obras - Oleg Borodin - Dominio Público Uruguay

A comparison of ether- and alkyl-derivatized imidazolium-based room-temperature ionic liquids: a molecular dynamics simulation study

artículo científico publicado en 2008

A comparison of fluoroalkyl-derivatized imidazolium:TFSI and alkyl-derivatized imidazolium:TFSI ionic liquids: a molecular dynamics simulation study.

artículo científico publicado en 2010

A molecular dynamics simulation study of LiFePO4/electrolyte interfaces: structure and Li+ transport in carbonate and ionic liquid electrolytes

artículo científico publicado en 2009

A molecular dynamics simulation study of crystalline 1,3,5-triamino-2,4,6-trinitrobenzene as a function of pressure and temperature

artículo científico publicado en 2009

A molecular dynamics simulation study of the pressure-volume-temperature behavior of polymers under high pressure

artículo científico publicado en 2009

A revised quantum chemistry-based potential for poly(ethylene oxide) and its oligomers in aqueous solution

artículo científico publicado en 2002

Application of Screening Functions as Cutoff-Based Alternatives to Ewald Summation in Molecular Dynamics Simulations Using Polarizable Force Fields.

artículo científico publicado en 2018

Azo compounds as a family of organic electrode materials for alkali-ion batteries.

artículo científico publicado en 2018

Comment on "On the accuracy of force fields for predicting the physical properties of dimethylnitramine".

artículo científico publicado en 2007

Density functional theory study of the role of anions on the oxidative decomposition reaction of propylene carbonate

artículo científico publicado en 2011

Development of a Polarizable Force Field for Molecular Dynamics Simulations of Poly (Ethylene Oxide) in Aqueous Solution

scientific article published on 29 April 2011

Development of many-body polarizable force fields for Li-battery applications: 2. LiTFSI-doped Oligoether, polyether, and carbonate-based electrolytes

artículo científico publicado en 2006

Development of many-body polarizable force fields for Li-battery components: 1. Ether, alkane, and carbonate-based solvents

artículo científico publicado en 2006

Effect of ion distribution on conductivity of block copolymer electrolytes.

artículo científico publicado en 2009

Frictional dynamics of fluorine-terminated alkanethiol self-assembled monolayers

artículo científico publicado en 2004

How Solid-Electrolyte Interphase Forms in Aqueous Electrolytes.

artículo científico publicado en 2017

Influence of polarization on structural, thermodynamic, and dynamic properties of ionic liquids obtained from molecular dynamics simulations

artículo científico publicado en 2010

Insight into hydrazinium nitrates, azides, dicyanamide, and 5-azidotetrazolate ionic materials from simulations and experiments

scientific article published on 28 October 2011

Interfacial properties of semifluorinated alkane diblock copolymers

artículo científico publicado en 2008

Investigation of Ion-Solvent Interactions in Nonaqueous Electrolytes Using in Situ Liquid SIMS.

artículo científico publicado en 2018

Li+ cation environment, transport, and mechanical properties of the LiTFSI doped N-methyl-N-alkylpyrrolidinium+TFSI- ionic liquids.

artículo científico publicado en 2006

Li+ transport in lithium sulfonylimide-oligo(ethylene oxide) ionic liquids and oligo(ethylene oxide) doped with LiTFSI.

artículo científico publicado en 2006

LiTFSI structure and transport in ethylene carbonate from molecular dynamics simulations

artículo científico publicado en 2006

Liquid Structure with Nano-Heterogeneity Promotes Cationic Transport in Concentrated Electrolytes.

artículo científico publicado en 2017

Modeling Insight into Battery Electrolyte Electrochemical Stability and Interfacial Structure

artículo científico publicado en 2017

Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields

scientific article published on 29 May 2019

Molecular dynamics simulation studies of the influence of imidazolium structure on the properties of imidazolium/azide ionic liquids

artículo científico publicado en 2012

Molecular dynamics simulations of N,N,N,N-tetramethylammonium dicyanamide plastic crystal and liquid using a polarizable force field.

artículo científico publicado en 2010

Molecular dynamics simulations of atomically flat and nanoporous electrodes with a molten salt electrolyte

artículo científico publicado en 2009

Molecular dynamics simulations of lithium alkyl carbonates

artículo científico publicado en 2006

Molecular simulations of the electric double layer structure, differential capacitance, and charging kinetics for N-methyl-N-propylpyrrolidinium bis(fluorosulfonyl)imide at graphite electrodes

artículo científico publicado en 2011

On the Atomistic Nature of Capacitance Enhancement Generated by Ionic Liquid Electrolyte Confined in Subnanometer Pores

artículo científico publicado en 2012

Oxidation induced decomposition of ethylene carbonate from DFT calculations--importance of explicitly treating surrounding solvent

artículo científico publicado en 2012

Polarizable and nonpolarizable force fields for alkyl nitrates

artículo científico publicado en 2007

Polarizable force field development and molecular dynamics simulations of ionic liquids.

artículo científico publicado en 2009

Probing Electric Double-Layer Composition via in Situ Vibrational Spectroscopy and Molecular Simulations

scientific article published on 06 June 2019

Quantum chemistry and molecular dynamics simulation study of dimethyl carbonate: ethylene carbonate electrolytes doped with LiPF6.

artículo científico publicado en 2009

Ramifications of Water-in-Salt Interfacial Structure at Charged Electrodes for Electrolyte Electrochemical Stability

artículo científico publicado en 2017

Relation between heat of vaporization, ion transport, molar volume, and cation-anion binding energy for ionic liquids

scientific article published on 01 September 2009

Structure and dynamics of N-methyl-N-propylpyrrolidinium bis(trifluoromethanesulfonyl)imide ionic liquid from molecular dynamics simulations

artículo científico publicado en 2006

The structure of a poly(ethylene oxide) melt from neutron scattering and molecular dynamics simulations

Thermodynamic, dynamic, and structural properties of ionic liquids comprised of 1-butyl-3-methylimidazolium cation and nitrate, azide, or dicyanamide anions

artículo científico publicado en 2010

Transport Properties of Li-TFSI Water-in-Salt Electrolytes

scientific article published on 02 December 2019

Viscosity of a room temperature ionic liquid: predictions from nonequilibrium and equilibrium molecular dynamics simulations

artículo científico publicado en 2009

Lista de obras de Oleg Borodin

A comparison of ether- and alkyl-derivatized imidazolium-based room-temperature ionic liquids: a molecular dynamics simulation study

A comparison of fluoroalkyl-derivatized imidazolium:TFSI and alkyl-derivatized imidazolium:TFSI ionic liquids: a molecular dynamics simulation study.

A molecular dynamics simulation study of LiFePO4/electrolyte interfaces: structure and Li+ transport in carbonate and ionic liquid electrolytes

A molecular dynamics simulation study of crystalline 1,3,5-triamino-2,4,6-trinitrobenzene as a function of pressure and temperature

A molecular dynamics simulation study of the pressure-volume-temperature behavior of polymers under high pressure

A revised quantum chemistry-based potential for poly(ethylene oxide) and its oligomers in aqueous solution

Application of Screening Functions as Cutoff-Based Alternatives to Ewald Summation in Molecular Dynamics Simulations Using Polarizable Force Fields.

Azo compounds as a family of organic electrode materials for alkali-ion batteries.

Comment on "On the accuracy of force fields for predicting the physical properties of dimethylnitramine".

Density functional theory study of the role of anions on the oxidative decomposition reaction of propylene carbonate

Development of a Polarizable Force Field for Molecular Dynamics Simulations of Poly (Ethylene Oxide) in Aqueous Solution

Development of many-body polarizable force fields for Li-battery applications: 2. LiTFSI-doped Oligoether, polyether, and carbonate-based electrolytes

Development of many-body polarizable force fields for Li-battery components: 1. Ether, alkane, and carbonate-based solvents

Effect of ion distribution on conductivity of block copolymer electrolytes.

Frictional dynamics of fluorine-terminated alkanethiol self-assembled monolayers

How Solid-Electrolyte Interphase Forms in Aqueous Electrolytes.

Influence of polarization on structural, thermodynamic, and dynamic properties of ionic liquids obtained from molecular dynamics simulations

Insight into hydrazinium nitrates, azides, dicyanamide, and 5-azidotetrazolate ionic materials from simulations and experiments

Interfacial properties of semifluorinated alkane diblock copolymers

Investigation of Ion-Solvent Interactions in Nonaqueous Electrolytes Using in Situ Liquid SIMS.

Li+ cation environment, transport, and mechanical properties of the LiTFSI doped N-methyl-N-alkylpyrrolidinium+TFSI- ionic liquids.

Li+ transport in lithium sulfonylimide-oligo(ethylene oxide) ionic liquids and oligo(ethylene oxide) doped with LiTFSI.

LiTFSI structure and transport in ethylene carbonate from molecular dynamics simulations

Liquid Structure with Nano-Heterogeneity Promotes Cationic Transport in Concentrated Electrolytes.

Modeling Insight into Battery Electrolyte Electrochemical Stability and Interfacial Structure

Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields

Molecular dynamics simulation studies of the influence of imidazolium structure on the properties of imidazolium/azide ionic liquids

Molecular dynamics simulations of N,N,N,N-tetramethylammonium dicyanamide plastic crystal and liquid using a polarizable force field.

Molecular dynamics simulations of atomically flat and nanoporous electrodes with a molten salt electrolyte

Molecular dynamics simulations of lithium alkyl carbonates

Molecular simulations of the electric double layer structure, differential capacitance, and charging kinetics for N-methyl-N-propylpyrrolidinium bis(fluorosulfonyl)imide at graphite electrodes

On the Atomistic Nature of Capacitance Enhancement Generated by Ionic Liquid Electrolyte Confined in Subnanometer Pores

Oxidation induced decomposition of ethylene carbonate from DFT calculations--importance of explicitly treating surrounding solvent

Polarizable and nonpolarizable force fields for alkyl nitrates

Polarizable force field development and molecular dynamics simulations of ionic liquids.

Probing Electric Double-Layer Composition via in Situ Vibrational Spectroscopy and Molecular Simulations

Quantum chemistry and molecular dynamics simulation study of dimethyl carbonate: ethylene carbonate electrolytes doped with LiPF6.

Ramifications of Water-in-Salt Interfacial Structure at Charged Electrodes for Electrolyte Electrochemical Stability

Relation between heat of vaporization, ion transport, molar volume, and cation-anion binding energy for ionic liquids

Structure and dynamics of N-methyl-N-propylpyrrolidinium bis(trifluoromethanesulfonyl)imide ionic liquid from molecular dynamics simulations

The structure of a poly(ethylene oxide) melt from neutron scattering and molecular dynamics simulations

Thermodynamic, dynamic, and structural properties of ionic liquids comprised of 1-butyl-3-methylimidazolium cation and nitrate, azide, or dicyanamide anions

Transport Properties of Li-TFSI Water-in-Salt Electrolytes

Viscosity of a room temperature ionic liquid: predictions from nonequilibrium and equilibrium molecular dynamics simulations