Ultrafast photochemical reactions in liquids occur on similar or shorter time scales compared
to the equilibration of the optically populated excited state. This equilibration involves the …

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

The π→ π* transitions of more than 100 organic dyes from the major classes of
chromophores (quinones, diazo,...) have been investigated using a Time-Dependent …

An effective state specific (SS) model for the inclusion of solvent effects in time dependent
density functional theory (TD-DFT) computations of excited electronic states has been …

Understanding the molecular origins of the optoelectronic properties of fluorophores
provides rational guidelines for chemists to synthesize better-performing dyes. Factors …

A general TDDFT procedure has been set up that accurately evaluates the UV/vis
absorption spectra of a series of new conjugated metal-free organic dyes based on the …

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 …

Developments in the field of fluorescent chemosensors for trace level determination of Al3+
have been described. Design, synthesis and applications of Al3+ selective fluorescent …

The structure and visible spectra of a large panel of thioindigo dyes and derivatives have
been evaluated using a TD-PBE0/6-311+ G (2d, p)//PBE0/6-311G (d, p) approach explicitly …

Chapter 3 is tutorial on how to calculate various types of electronic spectra for large
molecules. This chapter addresses the many challenges associated with computing spectra …