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Electron transfer in molecular systems

Grant number: 99/01890-0
Support Opportunities:Scholarships abroad - Research
Start date: August 02, 1999
End date: August 01, 2001
Field of knowledge:Physical Sciences and Mathematics - Physics - Atomic and Molecular Physics
Principal Investigator:Sergio Minoru Urahata
Grantee:Sergio Minoru Urahata
Host Investigator: Michael C. Zerner
Host Institution: Pessoa Física
Institution abroad: University of Florida, Gainesville (UF), United States  

Abstract

Electron transfer occurs in very many chemical and biochemical processes. It is at the heart of many bio-catalytic processes such as enzyme catalysis and photosysnthesis, and in the design of modem electronic devices, such as OLED, composite materials containing electron donors, emitting chromophores and electron acceptors in a layered configuration. We propose to examine electron transfer in these processes using linearized quantum chemistry modelling the environment both as a reaction field responding to the transfer, and through mixed quantum/classical models. (AU)

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