Search filters

List of works by Gloria Mazzone

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

scientific article published in July 2014

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

scientific article published on 20 April 2009

Antioxidant properties of several coumarin–chalcone hybrids from theoretical insights

scientific article published in 2015

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

scientific article published on 29 June 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

scientific article published on 29 February 2016

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

scientific article published in February 2015

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

scientific article published on 22 March 2018

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

scientific article published on 5 December 2017

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

scientific article published on 19 February 2018

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

scientific article published on 29 March 2016

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

scientific article published on 25 April 2022

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

scientific article published on 01 October 2013

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

scientific article published on 24 May 2013

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

scientific article published on 22 September 2011

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

scientific article published on 01 June 2017

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

scientific article

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.

scientific article published on 10 January 2018

Food Antioxidants: Chemical Insights at the Molecular Level.

scientific article

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

scientific article published on 01 September 2010

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

scientific article published on 6 January 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

scientific article published on 26 January 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.

scientific article

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

scientific article published on 17 July 2020

On the Electrochromic Properties of Borepins: A Computational Prediction

scientific article published on 20 August 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

scientific article published on 29 October 2019

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

scientific article published on 26 October 2018

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

scientific article published on 23 December 2016

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

scientific article published in September 2015

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

scientific article published on 23 December 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

scientific article published on 16 January 2020

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

scientific article published on 28 June 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?

scientific article published on 20 February 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

scientific article published on 09 July 2010

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

scientific article published on 26 June 2014

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

scientific article published on 4 January 2018

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

scientific article published on 01 September 2020

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

scientific article published in 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.

scientific article

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

scientific article published on 29 June 2017

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

scientific article published on 17 December 2014

Paulina is supported by:

About Paulina

Help