A Theoretical Approach to Molecular Single Electron Transistors

Stine T. Olsen, T. Hansen, Kurt Valentin Mikkelsen

7 Citationer (Scopus)

Abstract

We present theoretical methods and computational strategies of the effects of nanoparticles on linear optical properties of molecules. We present quantum mechanical-molecular mechanics response methods for calculating electromagnetic properties of molecules interacting with nanoparticles and we report strategies for calculating electronic and redox states of molecules sandwiched between gold nanoparticles.

OriginalsprogEngelsk
TidsskriftTheoretical Chemistry Accounts
Vol/bind130
Sider (fra-til)839-850
ISSN1432-881X
StatusUdgivet - dec. 2011

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