Computational organic chemistry: bridging theory and experiment in establishing the mechanisms of chemical reactions

GJ Cheng, X Zhang, LW Chung, L Xu… - Journal of the American …, 2015 - ACS Publications
Understanding the mechanisms of chemical reactions, especially catalysis, has been an
important and active area of computational organic chemistry, and close collaborations …

Relativistic effects in chemistry: more common than you thought

P Pyykkö - Annual review of physical chemistry, 2012 - annualreviews.org
Relativistic effects can strongly influence the chemical and physical properties of heavy
elements and their compounds. This influence has been noted in inorganic chemistry …

Chemistry with methane: concepts rather than recipes

H Schwarz - Angewandte Chemie International Edition, 2011 - Wiley Online Library
Four seemingly simple transformations related to the chemistry of methane will be
addressed from mechanistic and conceptual points of view: 1) metal‐mediated …

Ethylene receptor 1 (ETR1) is sufficient and has the predominant role in mediating inhibition of ethylene responses by silver in Arabidopsis thaliana

BK McDaniel, BM Binder - Journal of Biological Chemistry, 2012 - ASBMB
Background: Silver ions block ethylene perception yet support ethylene binding to Ethylene
Receptor 1 (ETR1). Results: Loss of ETR1 reduces the effects of silver while loss of the other …

Using In situ Transmission Electron Microscopy to Study Strong Metal‐Support Interactions in Heterogeneous Catalysis

J Dai, Y Sun, Z Liu, Y Zhang, S Duan… - Angewandte …, 2024 - Wiley Online Library
Precisely controlling the microstructure of supported metal catalysts and regulating metal‐
support interactions at the atomic level are essential for achieving highly efficient …

Effects of ligands, cluster size, and charge state in gas-phase catalysis: a happy marriage of experimental and computational studies

M Schlangen, H Schwarz - Catalysis letters, 2012 - Springer
We present selected examples of gas-phase reactions which are of timely interest for the
activation of small molecules. Due to the very nature of the experiments, detailed insight in …

Mechanistic variants in gas-phase metal-oxide mediated activation of methane at ambient conditions

J Li, S Zhou, J Zhang, M Schlangen… - Journal of the …, 2016 - ACS Publications
The C–H bond activation of methane mediated by a prototypical heteronuclear metal-oxide
cluster,[Al2Mg2O5]•+, was investigated by using Fourier transform ion cyclotron resonance …

C− H functionalization of 1, 4-naphthoquinone by oxidative coupling with anilines in the presence of a catalytic quantity of copper (II) acetate

CS Lisboa, VG Santos, BG Vaz… - The Journal of …, 2011 - ACS Publications
The oxidative addition of anilines (2) with 1, 4-naphthoquinone (3) to give N-aryl-2-amino-1,
4-naphthoquinones (1) was found to be catalyzed by copper (II) acetate. In the absence of …

Chemie mit Methan: Studieren geht über Probieren!

H Schwarz - Angewandte Chemie, 2011 - Wiley Online Library
Konzeptionelle Überlegungen zu und mechanistische Aspekte von vier scheinbar einfachen
chemischen Umsetzungen, die in der Chemie von Methan von Bedeutung sind, werden in …

A novel silver-coated solid-phase microextraction metal fiber based on electroless plating technique

J Feng, M Sun, J Li, X Liu, S Jiang - Analytica chimica acta, 2011 - Elsevier
A novel silver-coated solid-phase microextraction fiber was prepared based on electroless
plating technique. Good extraction performance of the fiber for model compounds including …