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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Nov-2023frq_sp_Ru1_0_2Mollfulleda, RosaADF; 2019; 307Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023frq_sp_pF_0_1Mollfulleda, RosaADF; 2019; 307Single pointS12g-x PBEcTZ2P-
Login required8-May-2024frq_rev_frq_ts_pOHbS2_-1_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required8-May-2024frq_rev_frq_ts_pOHbS_-1_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required8-May-2024frq_ts_pOHbS2_-1_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required8-May-2024frq_ts_pOHbS_-1_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required8-May-2024frq_rcOHbS_0_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required8-May-2024frq_fwd_frq_ts_pOHbS2_-1_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
Login required8-May-2024frq_fwd_frq_ts_pOHbS_-1_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
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