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Showing posts with label
reorganisational energy
.
Show all posts
Showing posts with label
reorganisational energy
.
Show all posts
27 May 2012
165. Approach to computing reorganisational energies using nwchem
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I set out to reproduce Malagoli and Brédas in Chemical Physics Letter, 2000, 327, 13-17 ( Link ). Essentially it's a paper on calculatin...
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