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SPECIFIC PURPOSE PARAMETER SET
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(c) 2017, Marcus Elstner, Karlsruher Institut für Technologie
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Description
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name          requires    elements
3obmod:nh     3ob         N-H

short description
modified N-H for 3ob (improves sp3-N proton affinities)

detailed description:
Improves the description of proton affinities of sp3-Nitrogen species.
Should only be used for this specific property. For details see [JCTC2012].

RELEVANT PUBLICATIONS
[JCTC2012]   J. Chem. Theory Comput., 2013, 9 (1), pp 338–354.
             DOI: http://dx.doi.org/10.1021/ct300849w

REQUIRED REFERENCES
[JCTC2012]   J. Chem. Theory Comput., 2013, 9 (1), pp 338–354.
             DOI: http://dx.doi.org/10.1021/ct300849w

Required set:
3ob
