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.
Originalsprog | Engelsk |
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Tidsskrift | Theoretical Chemistry Accounts |
Vol/bind | 130 |
Sider (fra-til) | 839-850 |
ISSN | 1432-881X |
Status | Udgivet - dec. 2011 |