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Chempluschem|January 26, 2021
Proton Transfer and SN 2 Reactions as Steps of Fast Selenol and Thiol Oxidation in Proteins: A Model Molecular Study Based on GPxMarco Dalla Tiezza, F Matthias Bickelhaupt, Leopold Flohé, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|August 19, 2004
103Rh NMR chemical shifts in organometallic complexes: a combined experimental and density functional studyLaura Orian, Annalisa Bisello, Saverio Santi, et al.Journal of Chemical Theory and Computation|April 21, 2016
Addition-Elimination or Nucleophilic Substitution? Understanding the Energy Profiles for the Reaction of Chalcogenolates with DichalcogenidesMarco Bortoli, Lando P Wolters, Laura Orian, et al.The Journal of Chemical Physics|September 23, 2020
Radical scavenging activity of natural antioxidants and drugs: Development of a combined machine learning and quantum chemistry protocolCecilia Muraro, Mirko Polato, Marco Bortoli, et al.Journal of Biomolecular Structure & Dynamics|September 19, 2020
A computational approach to drug repurposing against SARS-CoV-2 RNA dependent RNA polymerase (RdRp)Giovanni Ribaudo, Alberto Ongaro, Erika Oselladore, et al.Natural Product Research|December 14, 2020
Enhanced G-quadruplex selectivity of flavonoid glycoside rutin over quercetinGiovanni Ribaudo, Erika Oselladore, Alberto Ongaro, et al.The Journal of Physical Chemistry. A|June 23, 2011
Anti-Kasha's rule fluorescence emission in (2-ferrocenyl)indene generated by a twisted intramolecular charge-transfer (TICT) processStefano Scuppa, Laura Orian, Alessandro Donoli, et al.Chempluschem|November 20, 2020
Proton Transfer and SN 2 Reactions as Steps of Fast Selenol and Thiol Oxidation in Proteins: A Model Molecular Study Based on GPxMarco Dalla Tiezza, F Matthias Bickelhaupt, Leopold Flohé, et al.Physical Chemistry Chemical Physics : PCCP|January 28, 2020
Multiscale modeling of reaction rates: application to archetypal SN2 nucleophilic substitutionsJonathan Campeggio, Marco Bortoli, Laura Orian, et al.Journal of Computational Chemistry|April 20, 2016
Insights on selenium and tellurium diaryldichalcogenides: A benchmark DFT studyFrancesco Zaccaria, Lando P Wolters, Célia Fonseca Guerra, et al.Pageof 20