Ultrafast processes in light-absorbing proteins have been implicated in the primary step in
the light-to-energy conversion and the initialization of photoresponsive biological functions …

Over the last few decades, conical intersections (CoIns) have grown from theoretical
curiosities into common mechanistic features of photochemical reactions, whose function is …

In this Article we describe the OpenMolcas environment and invite the computational
chemistry community to collaborate. The open-source project already includes a large …

MOLCAS/OpenMolcas is an ab initio electronic structure program providing a large set of
computational methods from Hartree–Fock and density functional theory to various …

Although channelrhodopsin (ChR) is a widely applied light-activated ion channel, important
properties such as light adaptation, photocurrent inactivation, and alteration of the ion …

Mercury is a contaminant of global concern that is transported throughout the atmosphere as
elemental mercury Hg0 and its oxidized forms HgI and HgII. The efficient gas‐phase …

Merging of photo-and mechanochemical activation permitted studying the role of eosin Y in
the borylation of aryldiazonium salts in a ball mill. Simultaneous neat grinding/irradiation of …

Spatial confinement can have a profound impact on the dynamics of chemical reactions,
especially for isomerization reactions that involve large-amplitude structural rearrangement …

Observation at the single molecule level has been a revolutionary tool for molecular
biophysics and materials science, but single molecule studies of solution-phase chemistry …

The use of mechanical forces at the molecular level has been shown to be an interesting
tool for modulating different chemical and physical molecular properties. The so-called …