Over the last few decades, conical intersections (CoIns) have grown from theoretical curiosities into common mechanistic features of photochemical reactions, whose function is …
Vitamin A (all-trans-retinol, 1, Figure 1) is considered the most multifunctional vitamin in the human body. 1 It plays key roles in many physiological processes such as vision …
As the year-to-year gains in speeds of classical computers continue to taper off, computational chemists are increasingly examining quantum computing as a possible route …
The retinal protonated Schiff-base (RPSB) in its all-trans form is found in bacterial rhodopsins, whereas visual rhodopsin proteins host 11-cis RPSB. In both cases …
CF Chang, M Konno, K Inoue… - The Journal of Physical …, 2023 - ACS Publications
Schizorhodopsin (SzR) is a newly discovered microbial rhodopsin subfamily, functioning as an unusual inward-proton (H+) pump upon absorbing light. Two major protein structural …
Conical intersections are molecular configurations at which adiabatic potential-energy surfaces touch. They are predicted to be ubiquitous, yet condensed-phase experiments …
CL Ward, CG Elles - The Journal of Physical Chemistry Letters, 2012 - ACS Publications
Sequential two-photon excitation increases the cycloreversion yield of a diarylethene-type photochromic molecular switch compared with one-photon excitation. This letter shows for …
S Rinaldi, F Melaccio, S Gozem… - Proceedings of the …, 2014 - National Acad Sciences
Comparative modeling and ab initio multiconfigurational quantum chemistry are combined to investigate the reactivity of the human nonvisual photoreceptor melanopsin. It is found that …
In photoinduced molecular reaction dynamics, the effects of electronic charge redistribution can lead to multiple pathways that are determined by the nature of the initial structures …