Lista de obras - Pascal Pernot - Dominio Público Uruguay

A KInetic Database for Astrochemistry (KIDA)

scholarly article

Calibration of forcefields for molecular simulation: sequential design of computer experiments for building cost-efficient kriging metamodels.

artículo científico publicado en 2013

Comment on "Uncertainties in scaling factors for ab initio vibrational zero-point energies" [J. Chem. Phys. 130, 114102 (2009)] and "Calibration sets and the accuracy of vibrational scaling factors: a case study with the X3LYP hybrid functional" [J.

artículo científico publicado el 28 de abril de 2011

Critical review of N, n^+^, N^+^_2_, n^++^, and N^++^_2_ main production processes and reactions of relevance to titan's atmosphere

scholarly article

Determination of the absolute photoionization cross sections of CH3 and I produced from a pyrolysis source, by combined synchrotron and vacuum ultraviolet laser studies

artículo científico publicado en 2010

Direct observation of the oxidation of DNA bases by phosphate radicals formed under radiation: a model of the backbone-to-base hole transfer

artículo científico publicado en 2018

Distance dependence of the reaction rate for the reduction of metal cations by solvated electrons: a picosecond pulse radiolysis study

artículo científico publicado en 2010

Effect of the solvation state of electron in dissociative electron attachment reaction in aqueous solutions

artículo científico publicado en 2017

Electron-induced growth mechanism of conducting polymers: a coupled experimental and computational investigation.

artículo científico publicado en 2015

Energetics of Photoinduced Charge Migration within the Tryptophan Tetrad of an Animal (6-4) Photolyase

artículo científico publicado en 2016

Erratum: "Probabilistic performance estimators for computational chemistry methods: The empirical cumulative distribution function of absolute errors" [J. Chem. Phys. 148, 241707 (2018)]

artículo científico publicado en 2019

Erratum: Probabilistic performance estimators for computational chemistry methods: Systematic improvement probability and ranking probability matrix. I. Theory [J. Chem. Phys. 152, 164108 (2020)]

artículo científico publicado en 2020

Ex vivo fluorescence imaging of normal and malignant urothelial cells to enhance early diagnosis

scientific article published on 01 September 2007

How Measurements of Rate Coefficients at Low Temperature Increase the Predictivity of Photochemical Models of Titan’s Atmosphere†

article

Identification of Transient Radical Anions (LiClO4)(n)(-) (n = 1-3) in THF Solutions: Experimental and Theoretical Investigation on Electron Localization in Oligomers

artículo científico publicado en 2016

Ions in the Thermosphere of Exoplanets: Observable Constraints Revealed by Innovative Laboratory Experiments

scholarly article

Knowledge-based probabilistic representations of branching ratios in chemical networks

Knowledge-based probabilistic representations of branching ratios in chemical networks: the case of dissociative recombinations

artículo científico

Laboratory studies of molecular growth in the Titan ionosphere

artículo científico publicado en 2009

Mechanism of (SCN)2·- Formation and Decay in Neutral and Basic KSCN Solution under Irradiation from a Pico- to Microsecond Range

scientific article published on 24 July 2019

Mechanism of C-O activation in dimethoxyethane cationic iron complexes

artículo científico publicado en 2006

Modeling of Branching Ratio Uncertainty in Chemical Networks by Dirichlet Distributions

artículo científico publicado en 2007

Molecular Isomer Identification of Titan's Tholins Organic Aerosols by Photoelectron/Photoion Coincidence Spectroscopy Coupled to VUV Synchrotron Radiation

artículo científico publicado en 2016

Nitrogen incorporation in Titan's tholins inferred by high resolution orbitrap mass spectrometry and gas chromatography–mass spectrometry

scholarly article

Observation and Simulation of Transient Anion Oligomers (LiClO4)n- (n = 1-4) in Diethyl Carbonate LiClO4 Solutions.

artículo científico

Oxidation of bromide ions by hydroxyl radicals: spectral characterization of the intermediate BrOH•-

artículo científico publicado en 2013

Oxygen Anion (O- ) and Hydroxide Anion (HO- ) Reactivity with a Series of old and new Refrigerants

artículo científico publicado en 2017

Photochemical modeling of Titan atmosphere at the "10 percent uncertainty horizon".

artículo científico publicado en 2010

Picosecond Pulse Radiolysis Study on the Radiation-Induced Reactions in Neat Tributyl Phosphate

artículo científico publicado en 2018

Picosecond pulse radiolysis study of highly concentrated nitric acid solutions: formation mechanism of NO3• radical

artículo científico publicado en 2012

Picosecond pulse radiolysis study on the distance dependent reaction of the solvated electron with organic molecules in ethylene glycol

artículo científico publicado en 2012

Prediction uncertainty of density functional approximations for properties of crystals with cubic symmetry

artículo científico publicado en 2015

Probabilistic performance estimators for computational chemistry methods: Systematic improvement probability and ranking probability matrix. I. Theory

artículo científico publicado en 2020

Probabilistic performance estimators for computational chemistry methods: Systematic improvement probability and ranking probability matrix. II. Applications

artículo científico publicado en 2020

Probabilistic performance estimators for computational chemistry methods: The empirical cumulative distribution function of absolute errors

scientific article published on 01 June 2018

Probabilistic representations of partial branching ratios: bridging the gap between experiments and chemical models

Production of neutral species in Titan’s ionosphere through dissociative recombination of ions

Quantitative measures of corneal transparency, derived from objective analysis of depth-resolved corneal images, demonstrated with full-field optical coherence tomographic microscopy

scientific article published on 28 August 2019

Reactivity of the Strongest Oxidizing Species in Aqueous Solutions: The Short-Lived Radical Cation H2O(•.).

artículo científico publicado en 2013

Reduction of earth alkaline metal salts in THF solution studied by picosecond pulse radiolysis.

artículo científico publicado en 2013

Solvation dynamics of electron produced by two-photon ionization of liquid polyols. II. Propanediols.

artículo científico publicado en 2007

Solvation dynamics of electron produced by two-photon ionization of liquid polyols. III. Glycerol.

artículo científico publicado en 2008

Solvation dynamics of the electron produced by two-photon ionization of liquid polyols. 1. Ethylene glycol.

artículo científico publicado en 2006

Statistical analysis of ion mobility spectrometry. II. Adaptively biased methods and shape correlations.

artículo científico publicado en 2012

Statistical approaches to forcefield calibration and prediction uncertainty in molecular simulation.

artículo científico publicado en 2011

Superoxide radical anions protect enkephalin from oxidation if the amine group is blocked

artículo científico publicado en 2007

The parameter uncertainty inflation fallacy.

artículo científico publicado en 2017

Tholinomics--chemical analysis of nitrogen-rich polymers

artículo científico publicado en 2010

Time-dependent radiolytic yield of OH• radical studied by picosecond pulse radiolysis

scientific article published on 13 October 2011

Toward a reduction of the bimolecular reaction model for titan's ionosphere

Ultrafast Electron Attachment and Hole Transfer Following Ionizing Radiation of Aqueous Uridine Monophosphate

scientific article published on 24 August 2018

Volatile products controlling Titan’s tholins production

artículo científico publicado en 2012

When does a functional correctly describe both the structure and the energy of the transition state?

artículo científico publicado en 2017

Lista de obras de Pascal Pernot

A KInetic Database for Astrochemistry (KIDA)

Calibration of forcefields for molecular simulation: sequential design of computer experiments for building cost-efficient kriging metamodels.

Comment on "Uncertainties in scaling factors for ab initio vibrational zero-point energies" [J. Chem. Phys. 130, 114102 (2009)] and "Calibration sets and the accuracy of vibrational scaling factors: a case study with the X3LYP hybrid functional" [J.

Critical review of N, n^+^, N^+^_2_, n^++^, and N^++^_2_ main production processes and reactions of relevance to titan's atmosphere

Determination of the absolute photoionization cross sections of CH3 and I produced from a pyrolysis source, by combined synchrotron and vacuum ultraviolet laser studies

Direct observation of the oxidation of DNA bases by phosphate radicals formed under radiation: a model of the backbone-to-base hole transfer

Distance dependence of the reaction rate for the reduction of metal cations by solvated electrons: a picosecond pulse radiolysis study

Effect of the solvation state of electron in dissociative electron attachment reaction in aqueous solutions

Electron-induced growth mechanism of conducting polymers: a coupled experimental and computational investigation.

Energetics of Photoinduced Charge Migration within the Tryptophan Tetrad of an Animal (6-4) Photolyase

Erratum: "Probabilistic performance estimators for computational chemistry methods: The empirical cumulative distribution function of absolute errors" [J. Chem. Phys. 148, 241707 (2018)]

Erratum: Probabilistic performance estimators for computational chemistry methods: Systematic improvement probability and ranking probability matrix. I. Theory [J. Chem. Phys. 152, 164108 (2020)]

Ex vivo fluorescence imaging of normal and malignant urothelial cells to enhance early diagnosis

How Measurements of Rate Coefficients at Low Temperature Increase the Predictivity of Photochemical Models of Titan’s Atmosphere†

Identification of Transient Radical Anions (LiClO4)(n)(-) (n = 1-3) in THF Solutions: Experimental and Theoretical Investigation on Electron Localization in Oligomers

Ions in the Thermosphere of Exoplanets: Observable Constraints Revealed by Innovative Laboratory Experiments

Knowledge-based probabilistic representations of branching ratios in chemical networks

Knowledge-based probabilistic representations of branching ratios in chemical networks: the case of dissociative recombinations

Laboratory studies of molecular growth in the Titan ionosphere

Mechanism of (SCN)2·- Formation and Decay in Neutral and Basic KSCN Solution under Irradiation from a Pico- to Microsecond Range

Mechanism of C-O activation in dimethoxyethane cationic iron complexes

Modeling of Branching Ratio Uncertainty in Chemical Networks by Dirichlet Distributions

Molecular Isomer Identification of Titan's Tholins Organic Aerosols by Photoelectron/Photoion Coincidence Spectroscopy Coupled to VUV Synchrotron Radiation

Nitrogen incorporation in Titan's tholins inferred by high resolution orbitrap mass spectrometry and gas chromatography–mass spectrometry

Observation and Simulation of Transient Anion Oligomers (LiClO4)n- (n = 1-4) in Diethyl Carbonate LiClO4 Solutions.

Oxidation of bromide ions by hydroxyl radicals: spectral characterization of the intermediate BrOH•-

Oxygen Anion (O- ) and Hydroxide Anion (HO- ) Reactivity with a Series of old and new Refrigerants

Photochemical modeling of Titan atmosphere at the "10 percent uncertainty horizon".

Picosecond Pulse Radiolysis Study on the Radiation-Induced Reactions in Neat Tributyl Phosphate

Picosecond pulse radiolysis study of highly concentrated nitric acid solutions: formation mechanism of NO3• radical

Picosecond pulse radiolysis study on the distance dependent reaction of the solvated electron with organic molecules in ethylene glycol

Prediction uncertainty of density functional approximations for properties of crystals with cubic symmetry

Probabilistic performance estimators for computational chemistry methods: Systematic improvement probability and ranking probability matrix. I. Theory

Probabilistic performance estimators for computational chemistry methods: Systematic improvement probability and ranking probability matrix. II. Applications

Probabilistic performance estimators for computational chemistry methods: The empirical cumulative distribution function of absolute errors

Probabilistic representations of partial branching ratios: bridging the gap between experiments and chemical models

Production of neutral species in Titan’s ionosphere through dissociative recombination of ions

Quantitative measures of corneal transparency, derived from objective analysis of depth-resolved corneal images, demonstrated with full-field optical coherence tomographic microscopy

Reactivity of the Strongest Oxidizing Species in Aqueous Solutions: The Short-Lived Radical Cation H2O(•.).

Reduction of earth alkaline metal salts in THF solution studied by picosecond pulse radiolysis.

Solvation dynamics of electron produced by two-photon ionization of liquid polyols. II. Propanediols.

Solvation dynamics of electron produced by two-photon ionization of liquid polyols. III. Glycerol.

Solvation dynamics of the electron produced by two-photon ionization of liquid polyols. 1. Ethylene glycol.

Statistical analysis of ion mobility spectrometry. II. Adaptively biased methods and shape correlations.

Statistical approaches to forcefield calibration and prediction uncertainty in molecular simulation.

Superoxide radical anions protect enkephalin from oxidation if the amine group is blocked

The parameter uncertainty inflation fallacy.

Tholinomics--chemical analysis of nitrogen-rich polymers

Time-dependent radiolytic yield of OH• radical studied by picosecond pulse radiolysis

Toward a reduction of the bimolecular reaction model for titan's ionosphere

Ultrafast Electron Attachment and Hole Transfer Following Ionizing Radiation of Aqueous Uridine Monophosphate

Volatile products controlling Titan’s tholins production

When does a functional correctly describe both the structure and the energy of the transition state?