3ob:hhmod-1-2

Modified H-H for 3ob (for H2). Necessary to describe the absolute energy of the covalent H-H bond. For details see [JCTC2012].

Relevant publications

[JCTC2012] J. Chem. Theory Comput., 2013, 9 (1), pp 338–354.

Publications to be cited

* [JCTC2012]

License

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