Mechanism and kinetics of electrochemical reduction of tert-butyl bromide molecule - improvement of theoretical model

Erstveröffentlichung
2014Authors
Ignaczak, Anna
Schmickler, Wolfgang
Wissenschaftlicher Artikel
Published in
Electrochimica Acta ; 134 (2014). - S. 363-370. - ISSN 0013-4686. - eISSN 1873-3859
Link to publication
https://dx.doi.org/10.1016/j.electacta.2014.04.166Faculties
Fakultät für NaturwissenschaftenInstitutions
Institut für Theoretische ChemieSubject headings
[Free subject headings]: Dissociative electron transfer | Reduction of tert-butyl bromide | MD simulations | Transfer coefficient | Saddle point avoidance | DISSOCIATIVE ELECTRON-TRANSFER | CARBON-HALOGEN BOND | STOCHASTIC COLLISION MODEL | SADDLE-POINT AVOIDANCE | DYNAMICS SIMULATIONS | METAL-ELECTRODES | ALKYL-HALIDES | ENERGY | CLEAVAGE | IONS[DDC subject group]: DDC 540 / Chemistry & allied sciences