Helicenes have attracted considerable attention due to their inherent helical chirality and
extended π-conjugation. Recently, rapid progress has been witnessed in the preparation of …

Prompted by the recent rapid growth of interest in circularly polarized luminescence (CPL) of
organic molecules, we have collected all the reliable CPL, as well as the corresponding …

The field of chiral inorganic nanostructures is rapidly expanding. It started from the
observation of strong circular dichroism during the synthesis of individual nanoparticles …

Quantum‐mechanical calculations of chiroptical properties have rapidly become the most
popular method for assigning absolute configurations (AC) of organic compounds, including …

This article outlines theory and practice of the comparison of calculated and experimental
electronic circular dichroism (ECD) curves to determine the absolute configuration of chiral …

Covering: 2012 to 2018 The principles and applicability of optical rotation, and electronic
and vibrational circular dichroism aided by quantum chemical calculations are presented to …

Conspectus Kohn–Sham theory (KST) is the “workhorse” of numerical quantum chemistry.
This is particularly true for first-principles calculations of ground-and excited-state properties …

The electronic circular dichroism (ECD) spectra of flexible molecules include the
contributions of all conformers populated at the working temperature. ECD spectra of chiral …

The chiroptical properties of a series of carbo [n] helicenes (n= 4–10) were investigated by
the state-of-the-art approximate coupled cluster and density functional theory calculations …

Molecular and macromolecular chiral π-conjugated diketopyrrolopyrrole (DPP)–helicene
derivatives were prepared and their chiroptical properties examined experimentally and …