Extended tight‐binding quantum chemistry methods
C Bannwarth, E Caldeweyher, S Ehlert… - Wiley …, 2021 - Wiley Online Library
This review covers a family of atomistic, mostly quantum chemistry (QC) based
semiempirical methods for the fast and reasonably accurate description of large molecules …
semiempirical methods for the fast and reasonably accurate description of large molecules …
Recent advances of group 14 dimetallenes and dimetallynes in bond activation and catalysis
F Hanusch, L Groll, S Inoue - Chemical Science, 2021 - pubs.rsc.org
Since the first heavy alkene analogues of germanium and tin were isolated in 1976, followed
by West's disilene in 1981, the chemistry of stable group 14 dimetallenes and dimetallynes …
by West's disilene in 1981, the chemistry of stable group 14 dimetallenes and dimetallynes …
Beyond steric crowding: dispersion energy donor effects in large hydrocarbon ligands
Conspectus Interactions between sterically crowded hydrocarbon-substituted ligands are
widely considered to be repulsive because of the intrusion of the electron clouds of the …
widely considered to be repulsive because of the intrusion of the electron clouds of the …
Main group multiple bonds for bond activations and catalysis
C Weetman - Chemistry–A European Journal, 2021 - Wiley Online Library
Since the discovery that the so‐called “double‐bond” rule could be broken, the field of
molecular main group multiple bonds has expanded rapidly. With the majority of …
molecular main group multiple bonds has expanded rapidly. With the majority of …
An update on multiple bonding between heavier main group elements: the importance of Pauli repulsion, charge-shift character, and London dispersion force effects
PP Power - Organometallics, 2020 - ACS Publications
An update on some recent developments in the bonding of compounds with multiple bonds
between heavier main group elements is the major theme of this review. A brief historical …
between heavier main group elements is the major theme of this review. A brief historical …
A Silylene‐Stabilized Germanium Analogue of Alkynylaluminum
M Chen, B Lei, X Wang, H Rong… - Angewandte Chemie …, 2022 - Wiley Online Library
In contrast to the well‐developed metal acetylides, the heavier analogues of the type REEM
(E= Si, Ge, Sn, Pb; M= metals) have not been reported to date. Herein, we describe the …
(E= Si, Ge, Sn, Pb; M= metals) have not been reported to date. Herein, we describe the …
London Dispersion Effects on the Stability of Heavy Tetrel Molecules
London dispersion (LD) interactions, which stem from long‐range electron correlations
arising from instantaneously induced dipoles can occur between neighboring atoms or …
arising from instantaneously induced dipoles can occur between neighboring atoms or …
Quantum chemical calculations and machine learning predictions innovate synthesis for high-performance optical gold nanorods
J Yin, H Wu, J Zhang, S Wu, H Zheng, F Zhao… - Chemistry of …, 2022 - ACS Publications
Understanding the optical properties of gold nanorods (GNRs) in the colloidal state is crucial
to engineering them for versatile applications in many fields. Concomitant gold nanospheres …
to engineering them for versatile applications in many fields. Concomitant gold nanospheres …
Dispersion Stabilizes Metal–Metal Bonds in the 1, 8-Bis (silylamido) naphthalene Ligand Environment
There is emerging consensus that stabilization of weak bonds using bulky substituents
operates not only by steric shielding but also by boosting the dispersive attraction across the …
operates not only by steric shielding but also by boosting the dispersive attraction across the …