Computational ligand descriptors for catalyst design
DJ Durand, N Fey - Chemical reviews, 2019 - ACS Publications
Ligands, especially phosphines and carbenes, can play a key role in modifying and
controlling homogeneous organometallic catalysts, and they often provide a convenient …
controlling homogeneous organometallic catalysts, and they often provide a convenient …
Chemical bonding and bonding models of main-group compounds
The focus of this review is the presentation of the most important aspects of chemical
bonding in molecules of the main group atoms according to the current state of knowledge …
bonding in molecules of the main group atoms according to the current state of knowledge …
Heterocyclische Carbene–Synthese und Koordinationschemie
FE Hahn, MC Jahnke - Angewandte Chemie, 2008 - Wiley Online Library
Abstract Die Chemie der heterocyclischen Carbene hat sich in den letzten Jahren stürmisch
entwickelt. Nach den Imidazolin‐2‐ylidenen wurden weitere cyclische Diaminocarbene mit …
entwickelt. Nach den Imidazolin‐2‐ylidenen wurden weitere cyclische Diaminocarbene mit …
Quantifying and understanding the electronic properties of N-heterocyclic carbenes
The use of N-heterocyclic carbenes (NHCs) in chemistry has developed rapidly over the
past twenty years. These interesting compounds are predominantly employed in …
past twenty years. These interesting compounds are predominantly employed in …
The Lewis electron-pair bonding model: modern energy decomposition analysis
L Zhao, M Hermann, WHE Schwarz… - Nature Reviews …, 2019 - nature.com
Breaking down the calculated interaction energy between two or more fragments into well-
defined terms enables a physically meaningful understanding of chemical bonding. Energy …
defined terms enables a physically meaningful understanding of chemical bonding. Energy …
Main-group elements as transition metals
PP Power - Nature, 2010 - nature.com
The last quarter of the twentieth century and the beginning decade of the twenty-first
witnessed spectacular discoveries in the chemistry of the heavier main-group elements. The …
witnessed spectacular discoveries in the chemistry of the heavier main-group elements. The …
Bond dissociation energies of organic molecules
SJ Blanksby, GB Ellison - Accounts of chemical research, 2003 - ACS Publications
In this Account we have compiled a list of reliable bond energies that are based on a set of
critically evaluated experiments. A brief description of the three most important experimental …
critically evaluated experiments. A brief description of the three most important experimental …
π-Bonding and the lone pair effect in multiple bonds involving heavier main group elements: developments in the new millennium
This review is essentially an update of one entitled “π-Bonding and The Lone Pair Effect in
Multiple Bonds Between Heavier Main Group Elements” which was published more than 10 …
Multiple Bonds Between Heavier Main Group Elements” which was published more than 10 …
Stable carbenes
Beginning as chemical curiosities with the pioneering work of Curtius, 1a Staudinger, 1b and
even earlier efforts, 1c carbenes have played an important role as transient intermediates …
even earlier efforts, 1c carbenes have played an important role as transient intermediates …
Heterocyclic carbenes: synthesis and coordination chemistry
FE Hahn, MC Jahnke - Angewandte Chemie International …, 2008 - Wiley Online Library
The chemistry of heterocyclic carbenes has experienced a rapid development over the last
years. In addition to the imidazolin‐2‐ylidenes, a large number of cyclic diaminocarbenes …
years. In addition to the imidazolin‐2‐ylidenes, a large number of cyclic diaminocarbenes …