Lista de obras - Gloria Mazzone - Dominio Público Uruguay

Ab initio calculations on the (1)O2 quenching mechanism by trans-resveratrol.

artículo científico publicado en 2014

Adsorption of Ethylene, Vinyl, Acetic Acid, and Acetate Species on PdAu(111) and PdAu(100) Surface Alloys: A Cluster Model Study

artículo científico publicado en 2009

Antioxidant properties of several coumarin–chalcone hybrids from theoretical insights

artículo científico publicado en 2015

BODIPY for photodynamic therapy applications: computational study of the effect of bromine substitution on 1O2 photosensitization

artículo científico publicado en 2018

Bodipy-squaraine triads: Preparation and study of the intramolecular energy transfer, charge separation and intersystem crossing

Can Expanded Bacteriochlorins Act as Photosensitizers in Photodynamic Therapy? Good News from Density Functional Theory Computations

artículo científico publicado en 2016

Catalytic role of dinuclear σ,π-acetylide gold(I) complexes in the hydroamination of terminal alkynes: theoretical insights.

artículo científico publicado en 2015

Chemical insights on the antioxidant mechanisms of alkylseleno and alkyltelluro phenols: Periodic relatives behaving differently.

artículo científico publicado en 2018

Complexation of Al3+ and Ni2+ by l-Ascorbic Acid: An Experimental and Theoretical Investigation.

artículo científico publicado en 2017

Computational Investigation on the Influence of Halogen Atoms on the Photophysical Properties of Tetraphenylporphyrin and Its Zinc (II) Complexes

artículo científico publicado en 2018

Coumarin-Chalcone Hybrids as Peroxyl Radical Scavengers: Kinetics and Mechanisms.

artículo científico publicado en 2016

Cytotoxicity of Alizarine versus Tetrabromocathecol Cyclometalated Pt(II) Theranostic Agents: A Combined Experimental and Computational Investigation

artículo científico publicado en 2022

Density functional predictions of antioxidant activity and UV spectral features of nasutin A, isonasutin, ellagic acid, and one of its possible derivatives

artículo científico publicado en 2013

Density functional study of the antioxidant activity of some recently synthesized resveratrol analogues.

artículo científico publicado en 2013

Dimethylplatinum(II) complexes: computational insights into Pt-C bond protonolysis

artículo científico publicado en 2011

Direct and cluster-assisted dehydrogenation of methane by Nb+ and Ta+: a theoretical investigation

artículo científico publicado en 2017

Electronic spectra and intersystem spin-orbit coupling in 1,2- and 1,3-squaraines.

artículo científico publicado en 2014

Excitation energies, singlet-triplet energy gaps, spin-orbit matrix elements and heavy atom effects in BOIMPYs as possible photosensitizers for photodynamic therapy: a computational investigation.

artículo científico publicado en 2018

Food Antioxidants: Chemical Insights at the Molecular Level.

artículo científico publicado en 2016

Gold(I)-Catalyzed Hydration of 1,2-Diphenylacetylene: Computational Insights

artículo científico publicado en 2010

Halogen atom effect on the photophysical properties of substituted aza-BODIPY derivatives

artículo científico publicado en 2017

Increasing the anti-Stokes shift in TTA upconversion with photosensitizers showing red-shifted spin-allowed charge transfer absorption but a non-compromised triplet state energy level

scientific article published on 01 January 2019

Interaction of CO with PdAu(111) and PdAu(100) Bimetallic Surfaces: A Theoretical Cluster Model Study

Investigation of the Inertness to Hydrolysis of Platinum(IV) Prodrugs

artículo científico publicado en 2016

Mechanistic aspects of the reaction of Th+ and Th2+ with water in the gas phase

scientific article published on 15 February 2008

Metal Atom Effect on the Photophysical Properties of Mg(II), Zn(II), Cd(II), and Pd(II) Tetraphenylporphyrin Complexes Proposed as Possible Drugs in Photodynamic Therapy.

artículo científico publicado en 2017

Novel choline selective electrochemical membrane sensor with application in milk powders and infant formulas

artículo científico publicado en 2020

On the Electrochromic Properties of Borepins: A Computational Prediction

artículo científico publicado en 2018

On the Inhibition of Hydroxyl Radical Formation by Hydroxycinnamic Acids: The Case of Caffeic Acid as a Promising Chelating Ligand of a Ferrous Ion

artículo científico publicado en 2019

Photophysical Properties of Nitrated and Halogenated Phosphorus Tritolylcorrole Complexes: Insights from Theory

artículo científico publicado en 2018

Photophysical Properties of S, Se and Te-Substituted Deoxyguanosines: Insight into Their Ability To Act as Chemotherapeutic Agents.

artículo científico publicado en 2016

Photophysical properties of free and metallated meso-substituted tetrabenzotriazaporphyrin from density functional theory investigation

artículo científico publicado en 2015

Quantum mechanical DFT elucidation of CO2 catalytic conversion mechanisms: Three examples

artículo científico publicado en 2017

Spin-Orbit Charge-Transfer Intersystem Crossing (ISC) in Compact Electron Donor-Acceptor Dyads: ISC Mechanism and Application as Novel and Potent Photodynamic Therapy Reagents

artículo científico publicado en 2020

The ability of a zinc pyrrolidine complex to catalyze the synthesis of cyclic carbonates from carbon dioxide and epoxides: a mechanistic theoretical investigation

artículo científico publicado en 2017

The combined use of deuterium NMR and computer simulations for conformational investigation of flexible molecules in nematic solutions

The geometric effect in palladium-gold catalysis. Is the coupling the rate-determining step in the vinyl-acetate synthesis?

artículo científico publicado en 2009

The heavy atom effect on Zn(ii) phthalocyanine derivatives: a theoretical exploration of the photophysical properties

scientific article published on 01 September 2015

The influence of surface oxygen and hydroxyl groups on the dehydrogenation of ethylene on PdAu surface alloys. A theoretical cluster model study

The mutual influence of non-covalent interactions in pi-electron deficient cavities: the case of anion recognition by tetraoxacalix[2]arene[2]triazine

artículo científico publicado en 2010

Theoretical Determination of Electronic Spectra and Intersystem Spin-Orbit Coupling: The Case of Isoindole-BODIPY Dyes.

artículo científico publicado en 2014

Theoretical Insights into the Switching Off/On of 1 O2 Photosensitization in Chemicontrolled Photodynamic Therapy

artículo científico publicado en 2018

Theoretical exploration of the photophysical properties of two-component RuII-porphyrin dyes as promising assemblies for a combined antitumor effect

artículo científico publicado en 2020

Theoretical insight into joint photodynamic action of a gold(i) complex and a BODIPY chromophore for singlet oxygen generation

artículo científico publicado en 2019

Theoretical mechanistic study of the formic acid decomposition assisted by a Ru(II)-phosphine catalyst

scientific article published on 09 May 2014

Time-Dependent Density Functional Computations of the Spectrochemical Properties of Dithiolodithiole and Thiophene Electrochromic Systems.

artículo científico publicado en 2017

Trimethylphosphate and Dimethylphosphate Hydrolysis by Binuclear CdII , MnII , and ZnII -FeII Promiscuous Organophosphate-Degrading Enzyme: Reaction Mechanisms

artículo científico publicado en 2017

Understanding zinc(II) chelation with quercetin and luteolin: a combined NMR and theoretical study

artículo científico publicado en 2014

Lista de obras de Gloria Mazzone

Ab initio calculations on the (1)O2 quenching mechanism by trans-resveratrol.

Adsorption of Ethylene, Vinyl, Acetic Acid, and Acetate Species on PdAu(111) and PdAu(100) Surface Alloys: A Cluster Model Study

Antioxidant properties of several coumarin–chalcone hybrids from theoretical insights

BODIPY for photodynamic therapy applications: computational study of the effect of bromine substitution on 1O2 photosensitization

Bodipy-squaraine triads: Preparation and study of the intramolecular energy transfer, charge separation and intersystem crossing

Can Expanded Bacteriochlorins Act as Photosensitizers in Photodynamic Therapy? Good News from Density Functional Theory Computations

Catalytic role of dinuclear σ,π-acetylide gold(I) complexes in the hydroamination of terminal alkynes: theoretical insights.

Chemical insights on the antioxidant mechanisms of alkylseleno and alkyltelluro phenols: Periodic relatives behaving differently.

Complexation of Al3+ and Ni2+ by l-Ascorbic Acid: An Experimental and Theoretical Investigation.

Computational Investigation on the Influence of Halogen Atoms on the Photophysical Properties of Tetraphenylporphyrin and Its Zinc (II) Complexes

Coumarin-Chalcone Hybrids as Peroxyl Radical Scavengers: Kinetics and Mechanisms.

Cytotoxicity of Alizarine versus Tetrabromocathecol Cyclometalated Pt(II) Theranostic Agents: A Combined Experimental and Computational Investigation

Density functional predictions of antioxidant activity and UV spectral features of nasutin A, isonasutin, ellagic acid, and one of its possible derivatives

Density functional study of the antioxidant activity of some recently synthesized resveratrol analogues.

Dimethylplatinum(II) complexes: computational insights into Pt-C bond protonolysis

Direct and cluster-assisted dehydrogenation of methane by Nb+ and Ta+: a theoretical investigation

Electronic spectra and intersystem spin-orbit coupling in 1,2- and 1,3-squaraines.

Excitation energies, singlet-triplet energy gaps, spin-orbit matrix elements and heavy atom effects in BOIMPYs as possible photosensitizers for photodynamic therapy: a computational investigation.

Food Antioxidants: Chemical Insights at the Molecular Level.

Gold(I)-Catalyzed Hydration of 1,2-Diphenylacetylene: Computational Insights

Halogen atom effect on the photophysical properties of substituted aza-BODIPY derivatives

Increasing the anti-Stokes shift in TTA upconversion with photosensitizers showing red-shifted spin-allowed charge transfer absorption but a non-compromised triplet state energy level

Interaction of CO with PdAu(111) and PdAu(100) Bimetallic Surfaces: A Theoretical Cluster Model Study

Investigation of the Inertness to Hydrolysis of Platinum(IV) Prodrugs

Mechanistic aspects of the reaction of Th+ and Th2+ with water in the gas phase

Metal Atom Effect on the Photophysical Properties of Mg(II), Zn(II), Cd(II), and Pd(II) Tetraphenylporphyrin Complexes Proposed as Possible Drugs in Photodynamic Therapy.

Novel choline selective electrochemical membrane sensor with application in milk powders and infant formulas

On the Electrochromic Properties of Borepins: A Computational Prediction

On the Inhibition of Hydroxyl Radical Formation by Hydroxycinnamic Acids: The Case of Caffeic Acid as a Promising Chelating Ligand of a Ferrous Ion

Photophysical Properties of Nitrated and Halogenated Phosphorus Tritolylcorrole Complexes: Insights from Theory

Photophysical Properties of S, Se and Te-Substituted Deoxyguanosines: Insight into Their Ability To Act as Chemotherapeutic Agents.

Photophysical properties of free and metallated meso-substituted tetrabenzotriazaporphyrin from density functional theory investigation

Quantum mechanical DFT elucidation of CO2 catalytic conversion mechanisms: Three examples

Spin-Orbit Charge-Transfer Intersystem Crossing (ISC) in Compact Electron Donor-Acceptor Dyads: ISC Mechanism and Application as Novel and Potent Photodynamic Therapy Reagents

The ability of a zinc pyrrolidine complex to catalyze the synthesis of cyclic carbonates from carbon dioxide and epoxides: a mechanistic theoretical investigation

The combined use of deuterium NMR and computer simulations for conformational investigation of flexible molecules in nematic solutions

The geometric effect in palladium-gold catalysis. Is the coupling the rate-determining step in the vinyl-acetate synthesis?

The heavy atom effect on Zn(ii) phthalocyanine derivatives: a theoretical exploration of the photophysical properties

The influence of surface oxygen and hydroxyl groups on the dehydrogenation of ethylene on PdAu surface alloys. A theoretical cluster model study

The mutual influence of non-covalent interactions in pi-electron deficient cavities: the case of anion recognition by tetraoxacalix[2]arene[2]triazine

Theoretical Determination of Electronic Spectra and Intersystem Spin-Orbit Coupling: The Case of Isoindole-BODIPY Dyes.

Theoretical Insights into the Switching Off/On of 1 O2 Photosensitization in Chemicontrolled Photodynamic Therapy

Theoretical exploration of the photophysical properties of two-component RuII-porphyrin dyes as promising assemblies for a combined antitumor effect

Theoretical insight into joint photodynamic action of a gold(i) complex and a BODIPY chromophore for singlet oxygen generation

Theoretical mechanistic study of the formic acid decomposition assisted by a Ru(II)-phosphine catalyst

Time-Dependent Density Functional Computations of the Spectrochemical Properties of Dithiolodithiole and Thiophene Electrochromic Systems.

Trimethylphosphate and Dimethylphosphate Hydrolysis by Binuclear CdII , MnII , and ZnII -FeII Promiscuous Organophosphate-Degrading Enzyme: Reaction Mechanisms

Understanding zinc(II) chelation with quercetin and luteolin: a combined NMR and theoretical study