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"The PyPES library of high quality semi-global potential energy surfaces."

Marat Sibaev, Deborah L. Crittenden (2015)

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DOI: 10.1002/JCC.24192

access: closed

type: Journal Article

metadata version: 2020-04-01

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Marat Sibaev, Deborah L. Crittenden:
The PyPES library of high quality semi-global potential energy surfaces. J. Comput. Chem. 36(29): 2200-2207 (2015)

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