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

Predicting the electronic structure of extended organic molecules constitutes an important
fundamental task of modern chemistry. Studies of electronic excitations, charge-transfer …

Abstract The Multiconfigurational Ehrenfest (MCE) method is a quantum dynamics technique
which allows treatment of a large number of quantum nuclear degrees of freedom. This …

There is much interest in designing molecular sized containers that influence and facilitate
chemical reactions within their nanocavities. On top of the advantages of improved yield and …

The efficiency of materials developed for solar energy and technological applications
depends on the interplay between molecular architecture and light-induced electronic …

The optical and photophysical properties of phenylacetylene dendritic macromolecules
based on unsymmetrical branching are investigated using steady-state and time-dependent …

A new class of π-conjugated dendrimers G0, G1, and G2 was developed through a double-
stage divergent/convergent growth approach, in which 5, 5, 10, 10, 15, 15-hexahexyltruxene …

Solar energy conversion starts with the harvest of light, and its efficacy depends on the
spatial transfer of the light energy to where it can be transduced into other forms of energy …

Photoinduced dynamics of electronic and vibrational unidirectional energy transfer between
meta-linked building blocks in a phenylene ethynylene dendrimer is simulated using a …

Adaptive laser pulse shaping has enabled impressive control over photophysical processes
in complex molecules. However, the optimal pulse shape that emerges rarely offers …