ortho-Nitrobenzaldehyde (o NBA) is a well-known photoactivated acid and a prototypical
photolabile nitro-aromatic compound. Despite extensive investigations, the ultrafast …

The automated exploration and identification of minimum energy conical intersections
(MECIs) is a valuable computational strategy for the study of photochemical processes. Due …

The effect on the photophysical properties of sulfur-and selenium-for-oxygen replacement in
the skeleton of the oxo-4-dimethylaminonaphthalimide molecule (DMNP) has been explored …

Previously, the MS‐CASPT2 method was performed to study the static and qualitative
photophysics of tellurium‐substituted cytosine (TeC). To get quantitative information, we …

The substitution of oxygen with chalcogen in carbonyl group (s) of canonical nucleobases
gives an impressive triplet generation, enabling their promising applications in medicine and …

In this paper, we explore the molecular basis of combining photodynamic therapy (PDT), a
light-triggered targeted anticancer therapy, with the traditional chemotherapeutic properties …

The emergence of high-sulfur content polymeric materials and their diverse applications
underscore the need for a comprehensive understanding of the ring-to-chain transformation …

Achieving intersystem crossing (ISC) through structural tuning in biological systems is an
evolving area for therapeutic and materials research. Eumelanin, a natural pigment, offers …

Despite the numerous investigations of photoisomerization reactions from both the
computational and experimental points of view, even in complex environments, to date there …

Abstract A DFT and TDDFT study has been carried out on Red Nile dye (RN) and on two
chalcogens-derivatives in which the carbonyl-oxygen was replaced by Sulfur-(SNR) and …