Multireference approaches for excited states of molecules
Understanding the properties of electronically excited states is a challenging task that
becomes increasingly important for numerous applications in chemistry, molecular physics …
becomes increasingly important for numerous applications in chemistry, molecular physics …
How nature covers its bases
S Boldissar, MS de Vries - Physical Chemistry Chemical Physics, 2018 - pubs.rsc.org
The response of DNA and RNA bases to ultraviolet (UV) radiation has been receiving
increasing attention for a number of important reasons:(i) the selection of the building blocks …
increasing attention for a number of important reasons:(i) the selection of the building blocks …
Photophysics of deoxycytidine and 5-methyldeoxycytidine in solution: a comprehensive picture by quantum mechanical calculations and femtosecond fluorescence …
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 …
Ultrafast dynamics of the two lowest bright excited states of cytosine and 1-methylcytosine: A quantum dynamical study
The nonadiabatic quantum dynamics (QD) of cytosine and 1-methylcytosine in the gas
phase is simulated for 250 fs after a photoexcitation to one of the first two bright states. The …
phase is simulated for 250 fs after a photoexcitation to one of the first two bright states. The …
Excited state dynamics of 6-thioguanine
FM Siouri, S Boldissar, JA Berenbeim… - The Journal of …, 2017 - ACS Publications
Here we present the excited state dynamics of jet-cooled 6-thioguanine (6-TG), using
resonance-enhanced multiphoton ionization (REMPI), IR–UV double resonance …
resonance-enhanced multiphoton ionization (REMPI), IR–UV double resonance …
Is 1-methylcytosine a faithful model compound for ultrafast deactivation dynamics of cytosine nucleosides in solution?
C Ma, Q **ong, J Lin, X Zeng, M Wang… - Physical Chemistry …, 2024 - pubs.rsc.org
1-Methylcytosine (1mCyt) is the base for nucleoside N1-methylpseudodeoxycytidine of
Hachimoji nucleic acids and a frequently used model compound for theoretical studies on …
Hachimoji nucleic acids and a frequently used model compound for theoretical studies on …
Locating Cytosine Conical Intersections by Laser Experiments and Ab Initio Calculations
MA Trachsel, S Blaser, S Lobsiger… - The journal of …, 2020 - ACS Publications
The decay mechanism of S0→ S1 excited cytosine (Cyt) and the effect of substitution are
studied combining jet-cooled spectroscopy (nanosecond resonant two-photon ionization …
studied combining jet-cooled spectroscopy (nanosecond resonant two-photon ionization …
Urocanic acid as a novel scaffold for next-gen nature-inspired sunscreens: I. electronic laser spectroscopy under isolated conditions
J Fan, AK Lemmens, H Sanders, M Hilbers… - Physical Chemistry …, 2024 - pubs.rsc.org
Urocanic acid is a naturally occurring UV-A and UV-B absorbing compound found in the
skin. Its use in artificial sunscreens has been abandoned because of health risks associated …
skin. Its use in artificial sunscreens has been abandoned because of health risks associated …
Disruptive Model That Explains for the Long-Lived Triplet States Observed for 2-Thiocytosine upon UVA Radiation
J Baños, A Avilés, F Colmenares - ACS omega, 2024 - ACS Publications
The possible role of radical species in the formation of the long-lived triplet states observed
for 2-thiocytosine upon UV irradiation was theoretically investigated. It is predicted that the …
for 2-thiocytosine upon UV irradiation was theoretically investigated. It is predicted that the …
Mode-specific excited-state dynamics of N-methylpyrrole
State-selective deactivation rates of N-methylpyrrole in the S1 state have been measured by
using the picosecond pump–probe method. The S1 decay time leading to the N–CH3 bond …
using the picosecond pump–probe method. The S1 decay time leading to the N–CH3 bond …