Aromatic sulfonation with sulfur trioxide: mechanism and kinetic model

Electrophilic Aromatic Substitution: New Insights into an Old Class of Reactions

(2016) Boris Galabov et al.   ACCOUNTS OF CHEMICAL RESEARCH

Influence of Solvation and Dynamics on the Mechanism and Kinetics of Nucleophilic Aromatic Substitution Reactions in Liquid Ammonia

(2016) Samuel L. C. Moors et al.   JOURNAL OF ORGANIC CHEMISTRY

An Experimentally Established Key Intermediate in Benzene Nitration with Mixed Acid

(2015) Gergana Koleva et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Insight into the Formation and Reactivity of Framework-Bound Methoxide Species in H-ZSM-5 from Static and Dynamic Molecular Simulations

(2014) Jeroen Van der Mynsbrugge et al.   ChemCatChem

Arenium ions are not obligatory intermediates in electrophilic aromatic substitution

(2014) B. Galabov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Low-barrier concerted electrophilic aromatic substitution under the action of sulfur trioxide

(2013) A. S. Morkovnik et al.   DOKLADY CHEMISTRY

Molecular Dynamics Kinetic Study on the Zeolite-Catalyzed Benzene Methylation in ZSM-5

(2013) Samuel L. C. Moors et al.   ACS Catalysis

A simple and efficient synthesis protocol for sulfonation of nitrobenzene under solvent-free conditions via a microreactor

(2012) Yizheng Chen et al.   RSC Advances

The Inherent Competition between Addition and Substitution Reactions of Br2 with Benzene and Arenes

(2011) Jing Kong et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Electrophilic Aromatic Sulfonation with SO3: Concerted or Classic SEAr Mechanism?

(2011) Gergana Koleva et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science

(2008) Alessandro Laio et al.   REPORTS ON PROGRESS IN PHYSICS