Lista de obras - Ward H Thompson - Dominio Público Uruguay

A "Universal" Spectroscopic Map for the OH Stretching Mode in Alcohols

artículo científico publicado en 2017

Activation Energies and Beyond

scientific article published on 28 June 2019

Activation energies and the extended jump model: How temperature affects reorientation and hydrogen-bond exchange dynamics in water

scientific article published on 01 August 2020

Barrierless tautomerization of Criegee intermediates via acid catalysis

artículo científico publicado en 2014

Conformational free energies of 1,2-dichloroethane in nanoconfined methanol

scientific article published on 01 September 2005

Criegee intermediate reaction with CO: mechanism, barriers, conformer-dependence, and implications for ozonolysis chemistry

scientific article published on 26 February 2014

Determinants of activity at human Toll-like receptors 7 and 8: quantitative structure-activity relationship (QSAR) of diverse heterocyclic scaffolds

artículo científico publicado en 2014

Direct observation of vinyl hydroperoxide.

artículo científico publicado en 2015

Effects of pore size on water dynamics in mesoporous silica

artículo científico publicado en 2020

Examining the Hofmeister Series through Activation Energies: Water Diffusion in Aqueous Alkali-Halide Solutions

scientific article published on 31 December 2020

Examining the Role of Different Molecular Interactions on Activation Energies and Activation Volumes in Liquid Water

artículo científico publicado en 2021

Expanding the calculation of activation volumes: Self-diffusion in liquid water

artículo científico publicado en 2018

Grand canonical Monte Carlo simulations of acetonitrile filling of silica pores of varying hydrophilicity/hydrophobicity

artículo científico publicado en 2009

Infrared spectra of a model phenol-amine proton transfer complex in nanoconfined CH3Cl

artículo científico publicado en 2008

Linear 6,6'-biazulenyl framework featuring isocyanide termini: synthesis, structure, redox behavior, complexation, and self-assembly on Au(111).

artículo científico publicado en 2010

Mixed quantum-classical molecular dynamics analysis of the molecular-level mechanisms of vibrational frequency shifts

artículo científico publicado en 2007

Molecular-level mechanisms of vibrational frequency shifts in a polar liquid

artículo científico publicado en 2011

Multiple weak supramolecular interactions stabilize a surprisingly twisted As2L3 assembly

artículo científico publicado en 2008

Multipoint anchoring of the [2.2.2.2]metacyclophane motif to a gold surface via self-assembly: coordination chemistry of a cyclic tetraisocyanide revisited

artículo científico publicado en 2008

Nonadiabatic effects on proton transfer rate constants in a nanoconfined solvent

artículo científico publicado en 2010

On the Reorientation and Hydrogen-Bond Dynamics of Alcohols

article

On the connection between Gaussian statistics and excited-state linear response for time-dependent fluorescence

scientific article published on 01 June 2007

On the temperature dependence of liquid structure

scientific article published on 01 January 2020

Organic acids tunably catalyze carbonic acid decomposition.

artículo científico publicado en 2014

Origins of the non-exponential reorientation dynamics of nanoconfined water

artículo científico publicado en 2014

Origins, and formulation implications, of the pKa difference between boronic acids and their esters: A density functional theory study

scientific article published on 14 August 2018

Perspective: Dynamics of confined liquids

article

Pressure and Temperature Tuning of Gas-Expanded Liquid Structure and Dynamics

artículo científico publicado en 2019

Proton transfer in nanoconfined polar solvents. 1. Free energies and solute position

artículo científico publicado en 2005

Proton transfer in nanoconfined polar solvents. II. Adiabatic proton transfer dynamics

scientific article published on 01 September 2005

Removing the barrier to the calculation of activation energies

artículo científico publicado en 2016

Removing the barrier to the calculation of activation energies: Diffusion coefficients and reorientation times in liquid water.

artículo científico publicado en 2017

Reorientation dynamics of nanoconfined acetonitrile: a critical examination of two-state models

artículo científico publicado en 2014

Reorientation dynamics of nanoconfined water: power-law decay, hydrogen-bond jumps, and test of a two-state model

scientific article published on 01 January 2012

Reorientation of Isomeric Butanols: The Multiple Effects of Steric Bulk Arrangement on Hydrogen-Bond Dynamics

artículo científico publicado en 2015

Role of tunable acid catalysis in decomposition of α-hydroxyalkyl hydroperoxides and mechanistic implications for tropospheric chemistry

artículo científico publicado en 2014

Sampling the proton transfer reaction coordinate in mixed quantum-classical molecular dynamics simulations

artículo científico publicado en 2012

Simulations of infrared spectra of nanoconfined liquids: acetonitrile confined in nanoscale, hydrophilic silica pores

artículo científico publicado en 2009

Simulations of time-dependent fluorescence in nano-confined solvents

scientific article published on 01 May 2004

Solute location in a nanoconfined liquid depends on charge distribution

scientific article published on 01 July 2015

Solvation Dynamics and Proton Transfer in Nanoconfined Liquids ⬇️

artículo científico publicado el 1 de enero de 2011

Solvation and spectra of a charge transfer solute in ethanol confined within nanoscale silica pores

artículo científico publicado en 2012

Stereospecific decarboxylative allylation of sulfones

artículo científico publicado en 2010

Testing a two-state model of nanoconfined liquids: conformational equilibrium of ethylene glycol in amorphous silica pores

artículo científico publicado en 2006

Tests for, origins of, and corrections to non-Gaussian statistics. The dipole-flip model.

artículo científico publicado en 2017

Tests of the Stokes-Einstein Relation through the Shear Viscosity Activation Energy of Water

scientific article published on 27 June 2019

The activation energy for water reorientation differs between IR pump-probe and NMR measurements

artículo científico publicado en 2018

The dynamics of supercooled water can be predicted from room temperature simulations

artículo científico publicado en 2020

Thermodynamic Driving Forces for Dye Molecule Position and Orientation in Nanoconfined Solvents

scientific article published on 21 October 2014

Time-dependent fluorescence in nanoconfined solvents: linear-response approximations and Gaussian statistics

scientific article published on 01 August 2011

Umbrella sampling of solute vibrational line shifts in mixed quantum-classical molecular dynamics simulations

scientific article published on 15 December 2007

Utilization of hydrogen bonds to stabilize M-O(H) units: synthesis and properties of monomeric iron and manganese complexes with terminal oxo and hydroxo ligands

artículo científico publicado en 2004

Vibrational Quantum Decoherence in Liquid Water.

artículo científico publicado en 2016

Water plays a diverse role in a hydrogen-bonded, hexameric supramolecular assembly

artículo científico publicado en 2019

Water plays a dynamical role in a hydrogen-bonded, hexameric supramolecular assembly

artículo científico publicado en 2020

Water-anion hydrogen bonding dynamics: Ultrafast IR experiments and simulations.

artículo científico publicado en 2017

What Determines the Location of a Small Solute in a Nanoconfined Liquid?

artículo científico publicado en 2015

Lista de obras de Ward H Thompson

A "Universal" Spectroscopic Map for the OH Stretching Mode in Alcohols

Activation Energies and Beyond

Activation energies and the extended jump model: How temperature affects reorientation and hydrogen-bond exchange dynamics in water

Barrierless tautomerization of Criegee intermediates via acid catalysis

Conformational free energies of 1,2-dichloroethane in nanoconfined methanol

Criegee intermediate reaction with CO: mechanism, barriers, conformer-dependence, and implications for ozonolysis chemistry

Determinants of activity at human Toll-like receptors 7 and 8: quantitative structure-activity relationship (QSAR) of diverse heterocyclic scaffolds

Direct observation of vinyl hydroperoxide.

Effects of pore size on water dynamics in mesoporous silica

Examining the Hofmeister Series through Activation Energies: Water Diffusion in Aqueous Alkali-Halide Solutions

Examining the Role of Different Molecular Interactions on Activation Energies and Activation Volumes in Liquid Water

Expanding the calculation of activation volumes: Self-diffusion in liquid water

Grand canonical Monte Carlo simulations of acetonitrile filling of silica pores of varying hydrophilicity/hydrophobicity

Infrared spectra of a model phenol-amine proton transfer complex in nanoconfined CH3Cl

Linear 6,6'-biazulenyl framework featuring isocyanide termini: synthesis, structure, redox behavior, complexation, and self-assembly on Au(111).

Mixed quantum-classical molecular dynamics analysis of the molecular-level mechanisms of vibrational frequency shifts

Molecular-level mechanisms of vibrational frequency shifts in a polar liquid

Multiple weak supramolecular interactions stabilize a surprisingly twisted As2L3 assembly

Multipoint anchoring of the [2.2.2.2]metacyclophane motif to a gold surface via self-assembly: coordination chemistry of a cyclic tetraisocyanide revisited

Nonadiabatic effects on proton transfer rate constants in a nanoconfined solvent

On the Reorientation and Hydrogen-Bond Dynamics of Alcohols

On the connection between Gaussian statistics and excited-state linear response for time-dependent fluorescence

On the temperature dependence of liquid structure

Organic acids tunably catalyze carbonic acid decomposition.

Origins of the non-exponential reorientation dynamics of nanoconfined water

Origins, and formulation implications, of the pKa difference between boronic acids and their esters: A density functional theory study

Perspective: Dynamics of confined liquids

Pressure and Temperature Tuning of Gas-Expanded Liquid Structure and Dynamics

Proton transfer in nanoconfined polar solvents. 1. Free energies and solute position

Proton transfer in nanoconfined polar solvents. II. Adiabatic proton transfer dynamics

Removing the barrier to the calculation of activation energies

Removing the barrier to the calculation of activation energies: Diffusion coefficients and reorientation times in liquid water.

Reorientation dynamics of nanoconfined acetonitrile: a critical examination of two-state models

Reorientation dynamics of nanoconfined water: power-law decay, hydrogen-bond jumps, and test of a two-state model

Reorientation of Isomeric Butanols: The Multiple Effects of Steric Bulk Arrangement on Hydrogen-Bond Dynamics

Role of tunable acid catalysis in decomposition of α-hydroxyalkyl hydroperoxides and mechanistic implications for tropospheric chemistry

Sampling the proton transfer reaction coordinate in mixed quantum-classical molecular dynamics simulations

Simulations of infrared spectra of nanoconfined liquids: acetonitrile confined in nanoscale, hydrophilic silica pores

Simulations of time-dependent fluorescence in nano-confined solvents

Solute location in a nanoconfined liquid depends on charge distribution

Solvation Dynamics and Proton Transfer in Nanoconfined Liquids ⬇️

Solvation and spectra of a charge transfer solute in ethanol confined within nanoscale silica pores

Stereospecific decarboxylative allylation of sulfones

Testing a two-state model of nanoconfined liquids: conformational equilibrium of ethylene glycol in amorphous silica pores

Tests for, origins of, and corrections to non-Gaussian statistics. The dipole-flip model.

Tests of the Stokes-Einstein Relation through the Shear Viscosity Activation Energy of Water

The activation energy for water reorientation differs between IR pump-probe and NMR measurements

The dynamics of supercooled water can be predicted from room temperature simulations

Thermodynamic Driving Forces for Dye Molecule Position and Orientation in Nanoconfined Solvents

Time-dependent fluorescence in nanoconfined solvents: linear-response approximations and Gaussian statistics

Umbrella sampling of solute vibrational line shifts in mixed quantum-classical molecular dynamics simulations

Utilization of hydrogen bonds to stabilize M-O(H) units: synthesis and properties of monomeric iron and manganese complexes with terminal oxo and hydroxo ligands

Vibrational Quantum Decoherence in Liquid Water.

Water plays a diverse role in a hydrogen-bonded, hexameric supramolecular assembly

Water plays a dynamical role in a hydrogen-bonded, hexameric supramolecular assembly

Water-anion hydrogen bonding dynamics: Ultrafast IR experiments and simulations.

What Determines the Location of a Small Solute in a Nanoconfined Liquid?