title: Development of a web-based platform for studying lithiation reactions in silico.
abstract: A novel integrated web-based system which can compute, visualise and store systematised key parameters of a reaction has been developed from open-source components. As a proof of concept, it has been used to rationalise and predict the regioselectivity of lithiation reactions as well as relative reactivity of substrates. Excellent agreement between the in silico analysis and experimental data was obtained.
authors: Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK. mk787@cam.ac.uk.
authors: Mikhail A
authors: MA
authors: Kabeshov
authors: Éric
authors: É
authors: Sliwiński
authors: Daniel E
authors: DE
authors: Fitzpatrick
authors: Biagia
authors: B
authors: Musio
authors: James A
authors: JA
authors: Newby
authors: Wayne D W
authors: WD
authors: Blaylock
authors: Steven V
authors: SV
authors: Ley