Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of
interacting electronic many-body systems formally exactly and in a practical and efficient …

Among the diverse and ever-expanding array of approaches to the electronic structure
problem, the rise of approximate density functional theory (DFT) as the method of choice for …

Photochemistry of Organic Compounds: From Concepts to Practice provides a hands-on
guide demonstrating the underlying principles of photochemistry and, by reference to a …

A series of azobenzenes was studied using ab initio methods to determine the substituent
effects on the isomerization pathways. Energy barriers were determined from three …

We have observed reversible light-induced mechanical switching for individual organic
molecules bound to a metal surface. Scanning tunneling microscopy (STM) was used to …

Photoswitchable molecules are employed for many applications, from the development of
active materials to the design of stimuli-responsive molecular systems and light-powered …

The photoinduced isomerization of azobenzene between the extended (trans) and compact
(cis) conformations is reversibly triggered by light of two differing wavelengths. The resulting …

Time-dependent density-functional theory (TDDFT) extends the basic ideas of ground-state
density-functional theory (DFT) to the treatment of excitations and of more general time …

Azobenzenes are without a doubt the most widely used light-induced switching units, and
there is a plethora of application examples ranging from supramolecular chemistry to …

In order to investigate the properties of carbazole-indenedione based photoinitiators for
photopolymerization, two visible light-sensitive photoinitiators (CAs) were designed and …