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Title: doubl_pbe_pob_tzvp_opt
Authors: Mariusz, Radon
Jagiellonian University
Issue Date: 28-Jan-2019
Publisher: Jagiellonian University
Description: Doublet GS (2A1 in D3, lel3) optimized in gas phase at PBE/pob-TZVP level.
Appears in Collections:feen3

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