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1. Charge-transport-in-OSCs Charge-transport-in-OSCs Public

   Code and scripts for simulations and calculations regarding charge transport in organic semiconductors

   Jupyter Notebook 3 4

2. gaussian_scripts_TDDFT gaussian_scripts_TDDFT Public

   Here are a few scripts I have been using to write input files for Gaussian DFT and TDDFT calculations and some post-processing.

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3. j-from-g03 j-from-g03 Public

   Automatically exported from code.google.com/p/j-from-g03

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4. MLJ MLJ Public

   Marcus-Levic-Jortner Formalism to calculate rate constants.

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5. counterpoise-J counterpoise-J Public

   Dug out of an old email chain, James KP's improved transfer integral method...

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6. pyMOO pyMOO Public

   pyMOO interface to James KP's 2007 MOO C++ code

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