Multireference approaches for excited states of molecules

H Lischka, D Nachtigallova, AJA Aquino… - Chemical …, 2018 - ACS Publications
Understanding the properties of electronically excited states is a challenging task that
becomes increasingly important for numerous applications in chemistry, molecular physics …

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 …

Ultrafast excited-state dynamics in nucleic acids

CE Crespo-Hernández, B Cohen, PM Hare… - Chemical …, 2004 - ACS Publications
The scope of this review is the nature and dynamics of the singlet excited electronic states
created in nucleic acids and their constituents by UV light. Interest in the UV photochemistry …

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 …

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 …

Site-selective photoinduced electron transfer from alcoholic solvents to the chromophore facilitated by hydrogen bonding: a new fluorescence quenching mechanism

GJ Zhao, JY Liu, LC Zhou, KL Han - The Journal of Physical …, 2007 - ACS Publications
Solute− solvent intermolecular photoinduced electron transfer (ET) reaction was proposed to
account for the drastic fluorescence quenching behaviors of oxazine 750 (OX750) …

Early time hydrogen-bonding dynamics of photoexcited coumarin 102 in hydrogen-donating solvents: theoretical study

GJ Zhao, KL Han - The Journal of Physical Chemistry A, 2007 - ACS Publications
To study the early time hydrogen-bonding dynamics of chromophore in hydrogen-donating
solvents upon photoexcitation, the infrared spectra of the hydrogen-bonded solute− solvent …

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 …