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A theoretical approach to molecular single-electron transistors

Olsen, Stine T.; Hansen, Thorsten LU and Mikkelsen, Kurt V. (2011) In Theoretical Chemistry Accounts 130(4-6). p.839-850
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.
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
QM/MM response, Sandwiched molecule, Optical properties
in
Theoretical Chemistry Accounts
volume
130
issue
4-6
pages
839 - 850
publisher
Springer
external identifiers
  • wos:000297373800021
  • scopus:81855195358
ISSN
1432-881X
DOI
10.1007/s00214-011-1060-3
language
English
LU publication?
yes
id
069686ef-e51a-4e61-9820-abae69054868 (old id 2279353)
date added to LUP
2012-01-11 15:39:57
date last changed
2017-08-20 03:54:10
@article{069686ef-e51a-4e61-9820-abae69054868,
  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.},
  author       = {Olsen, Stine T. and Hansen, Thorsten and Mikkelsen, Kurt V.},
  issn         = {1432-881X},
  keyword      = {QM/MM response,Sandwiched molecule,Optical properties},
  language     = {eng},
  number       = {4-6},
  pages        = {839--850},
  publisher    = {Springer},
  series       = {Theoretical Chemistry Accounts},
  title        = {A theoretical approach to molecular single-electron transistors},
  url          = {http://dx.doi.org/10.1007/s00214-011-1060-3},
  volume       = {130},
  year         = {2011},
}