List of works - Barbara Marchetti

A 'bottom up', ab initio computational approach to understanding fundamental photophysical processes in nitrogen containing heterocycles, DNA bases and base pairs.

scientific article

A Simple and Efficient Method for Simulating the Electronic Absorption Spectra of Criegee Intermediates: Benchmarking on CH 2 OO and CH 3 CHOO

scientific article published on 10 May 2021

A direct dynamics study of the exotic photochemistry of the simplest Criegee intermediate, CH 2 OO

scientific article published in 2022

Ab Initio Study of Potential Ultrafast Internal Conversion Routes in Oxybenzone, Caffeic Acid, and Ferulic Acid: Implications for Sunscreens

scientific article published on 25 August 2014

Affordable Setup for Studying Photochemistry in Action in Undergraduate Teaching Laboratories: Principles and Applications

scientific article published on 20 July 2020

An exploration of the reactivity of singlet oxygen with biomolecular constituents

scientific article published on 18 August 2016

Electronic Absorption Spectroscopy and Photochemistry of Criegee Intermediates

scientific article published on 4 July 2022

Electronic spectroscopy of methyl vinyl ketone oxide: A four-carbon unsaturated Criegee intermediate from isoprene ozonolysis

scientific article published on 01 December 2018

Exploring Norrish type I and type II reactions: an ab initio mechanistic study highlighting singlet-state mediated chemistry

scientific article published on 19 March 2019

Exploring the Dynamics of the Photoinduced Ring-Opening of Heterocyclic Molecules

scientific article published on 29 June 2017

Mechanistic insights into excited state intramolecular proton transfer in isolated and metal chelated supramolecular chemosensors

scientific article published on 14 November 2016

Mechanistic insights into photoinduced damage of DNA and RNA nucleobases in the gas phase and in bulk solution.

scientific article published on 24 January 2018

Modeling the Conformer-Dependent Electronic Absorption Spectra and Photolysis Rates of Methyl Vinyl Ketone Oxide and Methacrolein Oxide

scientific article published on 20 January 2022

Modeling the Ground- and Excited-State Unimolecular Decay of the Simplest Fluorinated Criegee Intermediate, HFCOO, Formed from the Ozonolysis of Hydrofluoroolefin Refrigerants

scientific article published on 31 July 2023

Near ultraviolet photochemistry of 2-bromo- and 2-iodothiophene: Revealing photoinduced ring opening in the gas phase?

scientific article published on 01 June 2015

Origins of Photodamage in Pheomelanin Constituents: Photochemistry of 4-Hydroxybenzothiazole.

scientific article published on 2 February 2018

Oxidative Addition of Singlet Oxygen to Model Building Blocks of the Aerucyclamide A Peptide: A First-Principles Approach

scientific article published on 09 January 2020

Photodissociation Dynamics of CH 2 OO on Multiple Potential Energy Surfaces: Experiment and Theory

scientific article published on 27 July 2021

Photodissociation dynamics of methyl vinyl ketone oxide: A four-carbon unsaturated Criegee intermediate from isoprene ozonolysis

scientific article published in November 2021

Photoprotection: extending lessons learned from studying natural sunscreens to the design of artificial sunscreen constituents.

scientific article published on 5 June 2017

Photoprotective Properties of Eumelanin: Computational Insights into the Photophysics of a Catechol:Quinone Heterodimer Model System

scientific article published on 10 March 2021

Solvent induced conformer specific photochemistry of guaiacol

scientific article published on 01 August 2014

Symmetry matters: photodissociation dynamics of symmetrically versus asymmetrically substituted phenols

article

Synthesis, Electronic Spectroscopy, and Photochemistry of Methacrolein Oxide: A Four-Carbon Unsaturated Criegee Intermediate from Isoprene Ozonolysis

scientific article published on 11 September 2019

The Role of Norrish Type-I Chemistry in Photoactive Drugs: An Study of a Cyclopropenone-Enediyne Drug Precursor

scientific article published in 2020

The near ultraviolet photodissociation dynamics of 2- and 3-substituted thiophenols: Geometric vs. electronic structure effects.