Optically active molecular materials, such as organic conjugated polymers and biological
systems, are characterized by strong coupling between electronic and vibrational degrees of …

Over the past few decades, coherent broadband spectroscopy has been widely used to
improve our understanding of ultrafast processes (eg, photoinduced electron transfer, proton …

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 …

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

Photochemistry is a fascinating branch of chemistry that is concerned with molecules and
light. However, the importance of simulating light‐induced processes is reflected also in …

Vision is initiated by the rhodopsin family of light-sensitive G protein-coupled receptors
(GPCRs). A photon is absorbed by the 11-cis retinal chromophore of rhodopsin, which …

Luminescent covalent organic frameworks (LCOFs) have emerged as indispensable
candidates in various applications due to their greater tunable emitting properties and …

The activation of rhodopsin, the light-sensitive G-protein-coupled receptor responsible for
dim-light vision in vertebrates, is driven by an ultrafast excited-state double-bond …

Luminescent covalent organic frameworks (COFs) find promising applications in chemical
sensing, photocatalysis, and optoelectronic devices, however, the majority of COFs are non …