MD simulations of heterogeneous reduction of the tert-butyl bromide molecule

Erstveröffentlichung

2010

Authors

Ignaczak, Anna

Schmickler, Wolfgang

Wissenschaftlicher Artikel

Published in

Electrochimica Acta ; 55 (2010), 7. - S. 2442-2450. - ISSN 0013-4686. - eISSN 1873-3859

Link to publication

https://dx.doi.org/10.1016/j.electacta.2009.12.003

Faculties

Fakultät für Naturwissenschaften

Institutions

Institut für Theoretische Chemie

Subject headings

[Free subject headings]: Electron transfer | Simulations | Tert-butyl bromide reduction | Rate constant | Saddle point avoidance | DISSOCIATIVE ELECTRON-TRANSFER | CARBON-HALOGEN BOND | STOCHASTIC COLLISION MODEL | SADDLE-POINT AVOIDANCE | DYNAMICS SIMULATIONS | METAL-ELECTRODES | POLAR-SOLVENTS | ALKYL-HALIDES | ENERGY | KINETICS
[DDC subject group]: DDC 540 / Chemistry & allied sciences

Metadata

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