When molecules are placed at the interface to metals or metal oxides, an increase in their
infrared (IR) spectral intensities is observed, a phenomenon termed surface-enhanced …

Plasmon-mediated chemical reactions (PMCRs) are processes that make use of
nanostructure-based surface plasmons as mediators to redistribute and convert photon …

Rotational spectroscopy is the technique of choice for investigating molecular structures in
the gas phase. Indeed, rotational constants are strongly connected to the geometry of the …

This Feature Article starts highlighting some recent experimental and theoretical advances
in the field of IR and Raman spectroscopy, giving a taste of the breadth and dynamics of this …

Bosonic quantum devices offer a novel approach to realize quantum computations, where
the quantum two-level system (qubit) is replaced with the quantum (an) harmonic oscillator …

The accurate characterization of prototypical bricks of life can strongly benefit from the
integration of high resolution spectroscopy and quantum mechanical computations. We …

The oxidation state (OS) formalism is a much-appreciated good in chemistry, receiving wide
application. However, like all formalisms, limitations are inescapable, some of which have …

In this Perspective, we discuss recent advances made to evaluate from first-principles the
excited-state decay rate constants of organic fluorophores, focusing on the so-called static …

Defining a theoretical model systematically delivering accurate ab initio predictions of the
fluorescence quantum yields of organic dyes is highly desirable for designing improved …

“Who” and how? In this simple question the complexity of the interstellar chemistry is
encapsulated.“Who” refers to what molecules are present in the interstellar medium (ISM) …