Is it possible to find current conductivity of a molecule using gaussian software? The molecule was experimentally proved to be conducting. If it is possible to find, how can we done that?
Dear Devi,
Yes you can. For more details, please use the following links:
http://ntpl.me.cmu.edu/pubs/huang_ijhmt07_MD.pdf
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3670211/
Hoping this will be helpful,
Rafik
Rafik Karaman
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