Quantum mechanical studies on the photophysics and the photochemistry of nucleic acids and nucleobases

R Improta, F Santoro, L Blancafort - Chemical reviews, 2016 - ACS Publications
The photophysics and photochemistry of DNA is of great importance due to the potential
damage of the genetic code by UV light. Quantum mechanical studies have played a key …

Mechanisms for DNA charge transport

JC Genereux, JK Barton - Chemical reviews, 2010 - ACS Publications
DNA charge transport (CT) chemistry has received considerable attention by scientific
researchers over the past 15 years since our first provocative publication on long-range CT …

Sub-7-femtosecond conical-intersection dynamics probed at the carbon K-edge

KS Zinchenko, F Ardana-Lamas, I Seidu, SP Neville… - Science, 2021 - science.org
Conical intersections allow electronically excited molecules to return to their electronic
ground state. Here, we observe the fastest electronic relaxation dynamics measured to date …

[KSIĄŻKA][B] Multidimensional quantum dynamics: MCTDH theory and applications

HD Meyer, F Gatti, GA Worth - 2009 - books.google.com
The first book dedicated to this new and powerful computational method begins with a
comprehensive description of MCTDH and its theoretical background. There then follows a …

DNA excited-state dynamics: from single bases to the double helix

CT Middleton, K de La Harpe, C Su… - Annual review of …, 2009 - annualreviews.org
Ultraviolet light is strongly absorbed by DNA, producing excited electronic states that
sometimes initiate damaging photochemical reactions. Fully map** the reactive and …

Progress and challenges in the calculation of electronic excited states

L González, D Escudero, L Serrano‐Andrés - ChemPhysChem, 2012 - Wiley Online Library
A detailed understanding of the properties of electronic excited states and the reaction
mechanisms that molecules undergo after light irradiation is a fundamental ingredient for …

Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases

M Barbatti, AJA Aquino, JJ Szymczak… - Proceedings of the …, 2010 - National Acad Sciences
A comprehensive effort in photodynamical ab initio simulations of the ultrafast deactivation
pathways for all five nucleobases adenine, guanine, cytosine, thymine, and uracil is …

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

LA Baker, B Marchetti, TNV Karsili… - Chemical Society …, 2017 - pubs.rsc.org
Evolution has ensured that plants and animals have developed effective protection
mechanisms against the potentially harmful effects of incident ultraviolet radiation (UVR) …

Nonadiabatic events and conical intersections

S Matsika, P Krause - Annual review of physical chemistry, 2011 - annualreviews.org
Nonadiabatic events, in which the Born-Oppenheimer approximation breaks down, are
ubiquitous in chemistry and biology. It is now widely accepted that they are facilitated by …

Nucleic acids as a playground for the computational study of the photophysics and photochemistry of multichromophore assemblies

L Martínez Fernández, F Santoro… - Accounts of Chemical …, 2022 - ACS Publications
Conspectus The interaction between light and multichromophoric assemblies (MCAs) is the
primary event of many fundamental processes, from photosynthesis to organic photovoltaics …