14 citations · 14 across the 6 of their papers we have counts for
6 papers
Coherent vibrational wave packet motion in ErCry4a proteins monitors the redox state of the flavin chromophore
Krishan Kumar, Daniel Timmer, Maryam Khazani +8
Cryptochromes are blue-light-sensitive flavoproteins that play central roles in biological function. In European robin (Erithacus rubecula) ErCry4a proteins, optical excitation of…
Canonically consistent quantum master equation for proton-transfer reactions
Zahra Sartipi, Richard Gundermann, Janet Anders +1
The canonically consistent quantum master equation (CCQME) method to treat system-bath dynamics is used to describe intramolecular proton transfer in the thioacetylacetone molecule…
Nonadiabatic couplings drive ultrafast, mode-selective intramolecular vibrational energy redistribution in flavins
Daniel Timmer, Krishan Kumar, Jan P. Götze +3
Flavins are the chromophores in several blue-light-sensitive photoreceptor proteins and act as redox cofactors in many enzymes relevant for biological processes. Despite their biol…
Valence photoelectron spectra of thiouracils in the gas phase
Dennis Mayer, Evgenii Titov, Fabiano Lever +6
We present a combined experimental and theoretical study of the vibrationally resolved valence photoelectron spectra of the complete series of thiouracils (2-thiouracil, 4-thiourac…
A quantum chemistry approach to linear vibro-polaritonic IR spectra with perturbative electron-photon correlation
Eric W. Fischer, Jan A. Syska, Peter Saalfrank
In the vibrational strong coupling (VSC) regime, molecular vibrations and resonant low-frequency cavity modes form light-matter hybrid states, named vibrational polaritons, with ch…
Shaping the Laser Control Landscape of a Hydrogen Transfer Reaction by Vibrational Strong Coupling. A Direct Optimal Control Approach
A. R. Ramos Ramos, E. W. Fischer, P. Saalfrank +1
Controlling molecular reactivity by shaped laser pulses is a long-standing goal in chemistry. Here we suggest a direct optimal control approach which combines external pulse optimi…