Tetrathiafulvalene (TTF) and its derivatives were originally prepared as strong electron‐
donor molecules for the development of electrically conducting materials. This Review …

Open‐shell character, eg, diradical character, is a quantum chemically well‐defined quantity
in ground‐state molecular systems, which is not an observable but can quantify the degree …

We investigate the influence of an external, static electric field upon the relationship between
the structure, spatial distribution of electron density, and linear and nonlinear polarizabilities …

This contribution explores the relation between molecular second hyperpolarizabilities (γ)
and molecular architecture in phenylacetylene dendrimers using the semiempirical …

The dependence of the second hyperpolarizability (γ) on the diradical character (y) for
singlet diradical systems is investigated using a model compound, the p-quinodimethane …

Graphene is the strongest material ever studied and can be an efficient substitute for silicon.
This six-volume handbook focuses on fabrication methods, nanostructure and atomic …

Design principles toward open-shell singlet molecular systems exhibiting remarkable
nonlinear optical (NLO) responses are derived based on a two-site diradical model within …

Although most third-order nonlinear optical (NLO) materials are closed-shell singlet systems,
this Letter theoretically shows that the third-order NLO properties are drastically enhanced in …

Various size‐consistent approaches to the calculation of molecular hyperpolarizabilities are
analyzed based on the double perturbation theory. General equations for the n th‐order …

This chapter theoretically explains the electronic structures of open-shell singlet systems
with a wide range of open-shell (diradical) characters. The definition of diradical character …