6. Other Resources

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Joshua S Brown edited this page Sep 20, 2020 · 1 revision

Resources

If the current tool does not meet your needs for calculating transfer integrals you can take a look at the following links.

https://code.google.com/archive/p/j-from-g03/downloads

https://github.com/Jenny-Nelson-Group/j-from-g03

https://github.com/Jenny-Nelson-Group/counterpoise-J/tree/master/2016-10-04-Jarv

Denis Demata on Research gate has also posted a fortran code here:

https://www.researchgate.net/post/How_to_calculate_effective_charge_transfer_integral_using_Gaussian_09#view=5d245a4f2ba3a1b71e763926