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 …
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 …
mechanisms that molecules undergo after light irradiation is a fundamental ingredient for …
Multi‐Mode and Dynamic Persistent Luminescence from Metal Cytosine Halides through Balancing Excited‐State Proton Transfer
Persistent luminescence has attracted great attention due to the unique applications in
molecular imaging, photodynamic therapy, and information storage, among many others …
molecular imaging, photodynamic therapy, and information storage, among many others …
Quadruple anticounterfeiting encryption: anion-modulated forward and reverse excitation-dependent multicolor afterglow in two-component ionic crystals
Molecule-based afterglow materials with ultralong-lived excited states have attracted great
attention owing to their unique applications in light-emitting devices, information storage …
attention owing to their unique applications in light-emitting devices, information storage …
[图书][B] Tautomerism: methods and theories
L Antonov - 2013 - books.google.com
Covering the gap between basic textbooks and over-specialized scientific publications, this
is the first reference available to describe this interdisciplinary topic for PhD students and …
is the first reference available to describe this interdisciplinary topic for PhD students and …
Femtosecond intersystem crossing in the DNA nucleobase cytosine
M Richter, P Marquetand… - The journal of …, 2012 - ACS Publications
Ab initio molecular dynamics including nonadiabatic and spin–orbit couplings on equal
footing is used to unravel the deactivation of cytosine after UV light absorption. Intersystem …
footing is used to unravel the deactivation of cytosine after UV light absorption. Intersystem …
The role of πσ* states in the photochemistry of heteroaromatic biomolecules and their subunits: insights from gas-phase femtosecond spectroscopy
GM Roberts, VG Stavros - Chemical Science, 2014 - pubs.rsc.org
In an effort to illuminate why nature has chosen a particular set of bio-molecular 'building-
blocks' for life, recent years have seen an up-surge of gas-phase spectroscopy experiments …
blocks' for life, recent years have seen an up-surge of gas-phase spectroscopy experiments …
Pragmatic approach to photodynamics: Mixed Landau–Zener surface hopping with intersystem crossing
Ab initio excited state photodynamical simulations have entered the mainstream in the past
two decades, bringing techniques of various sophistication and computational requirements …
two decades, bringing techniques of various sophistication and computational requirements …
Photochemistry of nucleic acid bases and their thio-and aza-analogues in solution
M Pollum, L Martinez-Fernandez… - … in the Gas Phase and in …, 2015 - Springer
The steady-state and time-resolved photochemistry of the natural nucleic acid bases and
their sulfur-and nitrogen-substituted analogues in solution is reviewed. Emphasis is given to …
their sulfur-and nitrogen-substituted analogues in solution is reviewed. Emphasis is given to …
Photophysics of deoxycytidine and 5-methyldeoxycytidine in solution: a comprehensive picture by quantum mechanical calculations and femtosecond fluorescence …
L Martínez-Fernández, AJ Pepino… - Journal of the …, 2017 - ACS Publications
The study concerns the relaxation of electronic excited states of the DNA nucleoside
deoxycytidine (dCyd) and its methylated analogue 5-methyldeoxycytidine (5mdCyd), known …
deoxycytidine (dCyd) and its methylated analogue 5-methyldeoxycytidine (5mdCyd), known …