Quantum mechanical studies on the photophysics and the photochemistry of nucleic acids and nucleobases
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 …
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 …
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
Conical intersections allow electronically excited molecules to return to their electronic
ground state. Here, we observe the fastest electronic relaxation dynamics measured to date …
ground state. Here, we observe the fastest electronic relaxation dynamics measured to date …
[KSIĄŻKA][B] Multidimensional quantum dynamics: MCTDH theory and applications
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 …
comprehensive description of MCTDH and its theoretical background. There then follows a …
DNA excited-state dynamics: from single bases to the double helix
Ultraviolet light is strongly absorbed by DNA, producing excited electronic states that
sometimes initiate damaging photochemical reactions. Fully map** the reactive and …
sometimes initiate damaging photochemical reactions. Fully map** the reactive and …
Progress and challenges in the calculation of electronic excited states
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 …
mechanisms that molecules undergo after light irradiation is a fundamental ingredient for …
Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases
A comprehensive effort in photodynamical ab initio simulations of the ultrafast deactivation
pathways for all five nucleobases adenine, guanine, cytosine, thymine, and uracil is …
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
Evolution has ensured that plants and animals have developed effective protection
mechanisms against the potentially harmful effects of incident ultraviolet radiation (UVR) …
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 …
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
Conspectus The interaction between light and multichromophoric assemblies (MCAs) is the
primary event of many fundamental processes, from photosynthesis to organic photovoltaics …
primary event of many fundamental processes, from photosynthesis to organic photovoltaics …