Lista de obras -

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

artículo científico publicado en 2016

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

artículo científico publicado en 2021

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

artículo científico publicado en 2022

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

artículo científico publicado en 2014

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

artículo científico publicado en 2020

An exploration of the reactivity of singlet oxygen with biomolecular constituents

artículo científico publicado en 2016

Electronic Absorption Spectroscopy and Photochemistry of Criegee Intermediates

artículo científico publicado en 2022

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

artículo científico publicado en 2018

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

artículo científico publicado en 2019

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

artículo científico publicado en 2017

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

artículo científico publicado en 2016

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

artículo científico publicado en 2018

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

artículo científico publicado en 2022

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

artículo científico publicado en 2023

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

artículo científico publicado en 2015

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

artículo científico publicado en 2018

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

artículo científico publicado en 2020

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

artículo científico publicado en 2021

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

artículo científico publicado en 2021

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

artículo científico publicado en 2017

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

artículo científico publicado en 2021

Solvent induced conformer specific photochemistry of guaiacol

artículo científico publicado en 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

artículo científico publicado en 2020

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

artículo científico publicado en 2017

The role of 1πσ∗ states in the formation of adenine radical-cations in DNA duplexes

artículo científico publicado en 2018

Theoretical insights into the photo-protective mechanisms of natural biological sunscreens: building blocks of eumelanin and pheomelanin

artículo científico publicado en 2016

Tuning photochemistry: substituent effects on πσ* state mediated bond fission in thioanisoles

scientific article published on 02 June 2015

UV Photodissociation of Pyrroles: Symmetry and Substituent Effects

scientific article published on 15 July 2013

Ultraviolet photodissociation of gas-phase transition metal complexes: dicarbonylcyclopentadienyliodoiron(II)

artículo científico publicado en 2020

Lista de obras de

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

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

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

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

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

An exploration of the reactivity of singlet oxygen with biomolecular constituents

Electronic Absorption Spectroscopy and Photochemistry of Criegee Intermediates

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Solvent induced conformer specific photochemistry of guaiacol

Symmetry matters: photodissociation dynamics of symmetrically versus asymmetrically substituted phenols

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

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

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

The role of 1πσ∗ states in the formation of adenine radical-cations in DNA duplexes

Theoretical insights into the photo-protective mechanisms of natural biological sunscreens: building blocks of eumelanin and pheomelanin

Tuning photochemistry: substituent effects on πσ* state mediated bond fission in thioanisoles

UV Photodissociation of Pyrroles: Symmetry and Substituent Effects

Ultraviolet photodissociation of gas-phase transition metal complexes: dicarbonylcyclopentadienyliodoiron(II)