A multipronged bioengineering, spectroscopic and theoretical approach in unravelling the excited-state dynamics of the archetype mycosporine amino acid
M Hymas, S Wongwas, S Roshan… - The Journal of …, 2024 - ACS Publications
Mycosporine glycine (MyG) was produced by the fermentation of a purposely engineered
bacterial strain and isolated from this sustainable source. The ultrafast spectroscopy of MyG …
bacterial strain and isolated from this sustainable source. The ultrafast spectroscopy of MyG …
[HTML][HTML] Non-adiabatic direct quantum dynamics using force fields: Toward solvation
Quantum dynamics simulations are becoming a powerful tool for understanding photo-
excited molecules. Their poor scaling, however, means that it is hard to study molecules with …
excited molecules. Their poor scaling, however, means that it is hard to study molecules with …
Analytic First-Order Derivatives of CASPT2 Combined with the Polarizable Continuum Model
Y Nishimoto - 2024 - chemrxiv.org
The complete active space second-order perturbation theory (CASPT2) is valuable for
accurately predicting electronic structures and transition energies. However, optimizing …
accurately predicting electronic structures and transition energies. However, optimizing …