Modern vibrational spectroscopy is more than just an analytical tool. Information about the
electronic structure of a molecule, the strength of its bonds, and its conformational flexibility …

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 …

The intermolecular cleavage of C–C bonds is a rare event. Herein, we report on a late
transition-metal terminal nitrido complex, which upon oxidation undergoes insertion of the …

Computational studies on luminescent properties of lanthanides chelates are important for
the pre-synthetic design of new luminescent materials. However, the development of suited …

The analysis of chemical bonding in crystal structures and surfaces is an important research
topic in theoretical chemistry. In this work, we present a PyMOL plugin, named LModeA …

Local stretching force constants derived from periodic local vibrational modes at the vdW-
DF2 density functional level have been employed to quantify the intrinsic hydrogen bond …

We present a comprehensive investigation on the different role of CO in carboxyneuroglobin
(1) as ligand of the heme group in the active site forming a bond with the heme iron and (2) …

To explore the binding energy profiles and elucidate the bonding nature in counter-intuitive
anion⋯ anion coinage bonds (CiBs), thirty-one complexes were constructed, and the inter …

Abstract The {Ru (NO) 2} 10 dinitrosylruthenium complex [Ru (NO) 2 (PPh3) 2](1) shows
photo‐induced linkage isomerism (PLI) of a special kind: the two NO ligands switch, on …

The field of organometallic chemistry has tremendously grown over the past decades and
become an integral part of many areas of chemistry and beyond. Organometallic …