Year-end Sale % OFF 
Abstract
A model for combined electrochemical electron- and proton transfer is proposed, which is based on a second-quantized model Hamiltonian. It allows the calculation of potential energy surfaces for the reactions, which typically show four minima corresponding to the four system states. For the case of adiabatic transitions, reaction rates are obtained from stochastic dynamics simulations. Non-adiabatic proton transfer is examined in greater detail, and the path of the transferring proton is followed explicitly. In addition, the dependence of the reaction rate on the solvent friction and on the characteristics of the proton potential is investigated.
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
