Steric indices are parameters used in chemistry to describe the spatial arrangement of
atoms or groups of atoms in molecules. They are important in determining the reactivity …

Ligands, especially phosphines and carbenes, can play a key role in modifying and
controlling homogeneous organometallic catalysts, and they often provide a convenient …

Natural bond orbital (NBO) analysis is one of many available options for 'translating'
computational solutions of Schrödinger's wave equation into the familiar language of …

The research on 1, 2, 3-triazoles has been lively and ever-growing since its stimulation by
the advent of click chemistry. The attractiveness of 1H-1, 2, 3-triazoles and their derivatives …

N-Heterocyclic carbenes (NHCs) are cyclic carbenes bearing at least one R-amino
substituent. 1 The most common subclasses of NHCs are represented in Chart 1. Early work …

This tutorial explores the diversity and characteristics of C-donor ligands. Particular
emphasis is put on the conceptual design of the electronic properties for applications in …

Chemistry is the science of bond making and bond breaking. A thorough knowledge of these
processes in the course of the chemical reaction lies at the heart of any reaction mechanism …

Carbenes, thought of only as transient species for a long time, have become ubiquitous in
organometallic chemistry. Their interaction with a metal center, which allows for their …

N-heterocyclic carbenes (NHC) is a well established class of new ligands in organometallic
chemistry. Their use as ligands in many reactions catalyzed by transition metal complexes …

We present a free web application for the calculation of the buried volume (% VBur) of NHC
ligands. The web application provides a graphic and user‐friendly interface to the SambVca …