Computational spectroscopy has emerged as a critical tool for researchers looking to
achieve both qualitative and quantitative interpretations of experimental spectra. Over the …

Over the past decades, an important number of methods have been developed to simulate
the nonadiabatic dynamics of molecules, that is, the dynamics of molecules beyond the Born …

Processes that proceed in femtoseconds are usually referred to as being ultrafast, and they
are investigated in experiments that involve laser pulses with femtosecond duration in so …

Ab initio multiple-spawning (AIMS) describes the nonadiabatic dynamics of molecules by
expanding nuclear wave functions in a basis of traveling multidimensional Gaussians called …

Revolutionary developments in ultrafast light source technology are enabling experimental
spectroscopists to probe the structural dynamics of molecules and materials on the …

Ab Initio Multiple Spawning (AIMS) simulates the excited-state dynamics of molecular
systems by representing nuclear wavepackets in a basis of coupled traveling Gaussian …

Disulfide bridges common in proteins show excellent photostability achieved by ultrafast
internal conversion and maintain the stability of the tertiary structure. When disulfide bonds …

We have investigated dimethyl disulfide as the basic moiety for understanding the
photochemistry of disulfide bonds, which are central to a broad range of biochemical …

The photolysis of disulfide bonds is implicated in denaturation of proteins exposed to
ultraviolet light. Despite this biological relevance in stabilizing the structure of many proteins …

The ultrafast excited-state dynamics of 2, 4, 6-triaminopyrimidine–thought to be a promising
candidate for a proto-RNA nucleobase–have been investigated via static multireference …