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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Nov-2023frq_Ru1pF_0_2Mollfulleda, RosaADF; 2019; 307Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023frq_pFRuCl2_0_1Mollfulleda, RosaADF; 2019; 307Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023frq_Ru1pF_0_4Mollfulleda, RosaADF; 2019; 307Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023frq_ts_IV-IIc2_BzCl2_0_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023frq_ts_I-IIb_BzCl2_0_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023frq_ts_II-IIIc2_0_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023frq_pFRu2_0_1Mollfulleda, RosaADF; 2019; 307Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023ts_IV-IIc2_BzCl2_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023opt_int1a_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023ts2_III-IVb_BzCl2_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Results 11-20 of 55 (Search time: 0.0 seconds).