Lista de obras - Josep M Anglada - Dominio Público Uruguay

A New Mechanism of Acid Rain Generation from HOSO at the Air-Water Interface

scientific article published on 09 October 2019

Ab initio CI calculations on ScC2H4+ ions

Anharmonicity and the Eigen-Zundel Dilemma in the IR Spectrum of the Protonated 21 Water Cluster

artículo científico publicado en 2010

Atmospheric formation of the NO3 radical from gas-phase reaction of HNO3 acid with the NH2 radical: proton-coupled electron-transfer versus hydrogen atom transfer mechanisms

artículo científico publicado en 2014

Atmospheric significance of water clusters and ozone-water complexes

artículo científico publicado en 2013

Complex mechanism of the gas phase reaction between formic acid and hydroxyl radical. Proton coupled electron transfer versus radical hydrogen abstraction mechanisms

artículo científico publicado en 2004

Computational Insights into the CH3 Cl+OH Chemical Reaction Dynamics at the Air-Water Interface.

artículo científico publicado en 2017

Correlation between Photophysical Parameters and Gold–Gold Distances in Gold(I) (4-Pyridyl)ethynyl Complexes

scientific article published on 28 June 2012

Description of pentacoordinated phosphorus under an external electric field: which basis sets and semi-empirical methods are needed?

artículo científico publicado en 2008

Effect of the meso-substituent in the Hückel-to-Möbius topological switches

artículo científico publicado en 2014

Effects of a single water molecule on the OH + H2O2 reaction

artículo científico publicado en 2012

Effects of the substituents on the reactivity of carbonyl oxides. A theoretical study on the reaction of substituted carbonyl oxides with water

artículo científico publicado en 2011

Evaluation of the Nonlinear Optical Properties for Annulenes with Hückel and Möbius Topologies

artículo científico publicado en 2011

Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch

artículo científico publicado en 2012

Gas phase reaction of nitric acid with hydroxyl radical without and with water. A theoretical investigation

scientific article published on 01 September 2010

Hydrogen transfer between sulfuric acid and hydroxyl radical in the gas phase: competition among hydrogen atom transfer, proton-coupled electron-transfer, and double proton transfer

artículo científico publicado en 2006

Impact of the water dimer on the atmospheric reactivity of carbonyl oxides.

artículo científico publicado en 2016

Impact of water on the OH + HOCl reaction

artículo científico publicado en 2011

Impacts of cloud water droplets on the OH production rate from peroxide photolysis

artículo científico publicado en 2017

Inductive and External Electric Field Effects in Pentacoordinated Phosphorus Compounds

artículo científico publicado en 2008

Interconnection of reactive oxygen species chemistry across the interfaces of atmospheric, environmental, and biological processes

artículo científico publicado en 2015

Is the HO4- anion a key species in the aqueous-phase decomposition of ozone?

artículo científico publicado en 2012

Mechanism for the gas-phase reaction between formaldehyde and hydroperoxyl radical. A theoretical study

artículo científico publicado en 2005

Mechanism of the hydrogen transfer from the OH group to oxygen-centered radicals: proton-coupled electron-transfer versus radical hydrogen abstraction

scientific article published on 01 July 2004

Mechanistic study of the CH(3)O(2)() + HO(2)() --> CH(3)O(2)H + O(2) reaction in the gas phase. computational evidence for the formation of a hydrogen-bonded diradical complex

artículo científico publicado en 2006

New insight into the gas-phase bimolecular self-reaction of the HOO radical

artículo científico publicado en 2007

On the Dissociation of Ground State trans-HOOO Radical: A Theoretical Study

scientific article published on 01 September 2010

On the gas phase hydrogen bond complexes between formic acid and hydroperoxyl radical. A theoretical study

artículo científico publicado en 2006

On the nature of the unusually long OO bond in HO(3) and HO(4) radicals

artículo científico publicado en 2007

On the regio- and stereoselective synthesis of aminocyclitols from cyclitol epoxides: the effect of Li as a chelating agent.

artículo científico publicado en 2005

Photochemistry of HOSO radical in the gas phase

artículo científico publicado en 2019

Photochemistry of SO at the Air-Water Interface: A Source of OH and HOSO Radicals

scientific article published on 21 September 2018

Protonation of water clusters induced by hydroperoxyl radical surface adsorption

scientific article published on 23 March 2011

Reaction mechanism between carbonyl oxide and hydroxyl radical: a theoretical study

scientific article published on 01 March 2006

Reactivity of Undissociated Molecular Nitric Acid at the Air-Water Interface

artículo científico publicado en 2020

Reactivity of atmospherically relevant small radicals at the air-water interface

artículo científico publicado en 2012

Reactivity of hydropersulfides toward the hydroxyl radical unraveled: disulfide bond cleavage, hydrogen atom transfer, and proton-coupled electron transfer.

artículo científico publicado en 2018

Reactivity of volatile organic compounds at the surface of a water droplet

artículo científico publicado en 2012

Relevance of the DFT method to study expanded porphyrins with different topologies

artículo científico publicado en 2017

Role of Proton Tunneling and Metal-Free Organocatalysis in the Decomposition of Methanediol: A Theoretical Study

artículo científico publicado en 2017

Role of vibrational anharmonicity in atmospheric radical hydrogen-bonded complexes.

artículo científico publicado en 2009

Spectroscopic characterization of the ethyl radical-water complex

artículo científico publicado en 2016

Spectroscopic signatures of ozone at the air-water interface and photochemistry implications.

artículo científico publicado en 2014

Studies on the intramolecular C[bond]H...X (X = O, S) interactions in (S)-N-acyl- 4-isopropyl-1,3-thiazolidine-2-thiones and related 1,3-oxazolidin-2-ones

scientific article published on 01 August 2003

Sulfuric acid as autocatalyst in the formation of sulfuric acid

artículo científico publicado en 2012

The Aqueous Surface as an Efficient Transient Stop for the Reactivity of Gaseous NO<sub>2</sub> in Liquid Water

artículo científico publicado en 2020

The Atmospheric Oxidation of HONO by OH, Cl, and ClO Radicals.

artículo científico publicado en 2017

The Stability of α-Hydroperoxyalkyl Radicals.

artículo científico publicado en 2016

The atmospheric oxidation of CH3OOH by the OH radical: the effect of water vapor.

artículo científico publicado en 2017

The gas-phase hydrogen bond complexes between formic acid with hydroxyl radical: a theoretical study.

artículo científico publicado en 2004

The gas-phase hydrogen-bonded complex between ozone and hydroperoxyl radical. A theoretical study

artículo científico publicado en 2007

The gas-phase reaction between O3 and HO radical: a theoretical study

artículo científico publicado en 2007

The gas-phase reaction of methane sulfonic acid with the hydroxyl radical without and with water vapor

scientific article published on 01 April 2013

The reaction of formaldehyde carbonyl oxide with the methyl peroxy radical and its relevance in the chemistry of the atmosphere

artículo científico publicado en 2013

The reactions of SO3 with HO2 radical and H2O...HO2 radical complex. Theoretical study on the atmospheric formation of HSO5 and H2SO4

artículo científico publicado en 2010

Theoretical Investigation of the Photoexcited NO2 +H2 O reaction at the Air-Water Interface and Its Atmospheric Implications

scientific article published on 24 September 2019

Theoretical characterization of the gas-phase O(3)HO hydrogen-bonded complex

artículo científico publicado en 2006

Unconventional biradical character of titanium enolates

scientific article published on 21 February 2008

Unexpected reactivity of amidogen radical in the gas phase degradation of nitric acid.

artículo científico publicado en 2014

Lista de obras de Josep M Anglada

A New Mechanism of Acid Rain Generation from HOSO at the Air-Water Interface

Ab initio CI calculations on ScC2H4+ ions

Anharmonicity and the Eigen-Zundel Dilemma in the IR Spectrum of the Protonated 21 Water Cluster

Atmospheric formation of the NO3 radical from gas-phase reaction of HNO3 acid with the NH2 radical: proton-coupled electron-transfer versus hydrogen atom transfer mechanisms

Atmospheric significance of water clusters and ozone-water complexes

Complex mechanism of the gas phase reaction between formic acid and hydroxyl radical. Proton coupled electron transfer versus radical hydrogen abstraction mechanisms

Computational Insights into the CH3 Cl+OH Chemical Reaction Dynamics at the Air-Water Interface.

Correlation between Photophysical Parameters and Gold–Gold Distances in Gold(I) (4-Pyridyl)ethynyl Complexes

Description of pentacoordinated phosphorus under an external electric field: which basis sets and semi-empirical methods are needed?

Effect of the meso-substituent in the Hückel-to-Möbius topological switches

Effects of a single water molecule on the OH + H2O2 reaction

Effects of the substituents on the reactivity of carbonyl oxides. A theoretical study on the reaction of substituted carbonyl oxides with water

Evaluation of the Nonlinear Optical Properties for Annulenes with Hückel and Möbius Topologies

Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch

Gas phase reaction of nitric acid with hydroxyl radical without and with water. A theoretical investigation

Hydrogen transfer between sulfuric acid and hydroxyl radical in the gas phase: competition among hydrogen atom transfer, proton-coupled electron-transfer, and double proton transfer

Impact of the water dimer on the atmospheric reactivity of carbonyl oxides.

Impact of water on the OH + HOCl reaction

Impacts of cloud water droplets on the OH production rate from peroxide photolysis

Inductive and External Electric Field Effects in Pentacoordinated Phosphorus Compounds

Interconnection of reactive oxygen species chemistry across the interfaces of atmospheric, environmental, and biological processes

Is the HO4- anion a key species in the aqueous-phase decomposition of ozone?

Mechanism for the gas-phase reaction between formaldehyde and hydroperoxyl radical. A theoretical study

Mechanism of the hydrogen transfer from the OH group to oxygen-centered radicals: proton-coupled electron-transfer versus radical hydrogen abstraction

Mechanistic study of the CH(3)O(2)(*) + HO(2)(*) --> CH(3)O(2)H + O(2) reaction in the gas phase. computational evidence for the formation of a hydrogen-bonded diradical complex

New insight into the gas-phase bimolecular self-reaction of the HOO radical

On the Dissociation of Ground State trans-HOOO Radical: A Theoretical Study

On the gas phase hydrogen bond complexes between formic acid and hydroperoxyl radical. A theoretical study

On the nature of the unusually long OO bond in HO(3) and HO(4) radicals

On the regio- and stereoselective synthesis of aminocyclitols from cyclitol epoxides: the effect of Li as a chelating agent.

Photochemistry of HOSO radical in the gas phase

Photochemistry of SO at the Air-Water Interface: A Source of OH and HOSO Radicals

Protonation of water clusters induced by hydroperoxyl radical surface adsorption

Reaction mechanism between carbonyl oxide and hydroxyl radical: a theoretical study

Reactivity of Undissociated Molecular Nitric Acid at the Air-Water Interface

Reactivity of atmospherically relevant small radicals at the air-water interface

Reactivity of hydropersulfides toward the hydroxyl radical unraveled: disulfide bond cleavage, hydrogen atom transfer, and proton-coupled electron transfer.

Reactivity of volatile organic compounds at the surface of a water droplet

Relevance of the DFT method to study expanded porphyrins with different topologies

Role of Proton Tunneling and Metal-Free Organocatalysis in the Decomposition of Methanediol: A Theoretical Study

Role of vibrational anharmonicity in atmospheric radical hydrogen-bonded complexes.

Spectroscopic characterization of the ethyl radical-water complex

Spectroscopic signatures of ozone at the air-water interface and photochemistry implications.

Studies on the intramolecular C[bond]H...X (X = O, S) interactions in (S)-N-acyl- 4-isopropyl-1,3-thiazolidine-2-thiones and related 1,3-oxazolidin-2-ones

Sulfuric acid as autocatalyst in the formation of sulfuric acid

The Aqueous Surface as an Efficient Transient Stop for the Reactivity of Gaseous NO<sub>2</sub> in Liquid Water

The Atmospheric Oxidation of HONO by OH, Cl, and ClO Radicals.

The Stability of α-Hydroperoxyalkyl Radicals.

The atmospheric oxidation of CH3OOH by the OH radical: the effect of water vapor.

The gas-phase hydrogen bond complexes between formic acid with hydroxyl radical: a theoretical study.

The gas-phase hydrogen-bonded complex between ozone and hydroperoxyl radical. A theoretical study

The gas-phase reaction between O3 and HO radical: a theoretical study

The gas-phase reaction of methane sulfonic acid with the hydroxyl radical without and with water vapor

The reaction of formaldehyde carbonyl oxide with the methyl peroxy radical and its relevance in the chemistry of the atmosphere

The reactions of SO3 with HO2 radical and H2O...HO2 radical complex. Theoretical study on the atmospheric formation of HSO5 and H2SO4

Theoretical Investigation of the Photoexcited NO2 +H2 O reaction at the Air-Water Interface and Its Atmospheric Implications

Theoretical characterization of the gas-phase O(3)HO hydrogen-bonded complex

Unconventional biradical character of titanium enolates

Unexpected reactivity of amidogen radical in the gas phase degradation of nitric acid.

Mechanistic study of the CH(3)O(2)() + HO(2)() --> CH(3)O(2)H + O(2) reaction in the gas phase. computational evidence for the formation of a hydrogen-bonded diradical complex