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Browsing by Author Mollfulleda, Rosa

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Showing results 41 to 55 of 55 < previous 
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required8-May-2024opt_rcOHbS_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023opt_Ru1pF_0_2Mollfulleda, RosaADF; 2019; 307Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023opt_Ru1pF_0_4Mollfulleda, RosaADF; 2019; 307Single point QuildS12g-x PBEcTZ2P-
Login required8-May-2024rev_frq_ts_pOHbS2_-1_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required8-May-2024rev_frq_ts_pOHbS_-1_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023ts1_III-IVa_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023ts2_III-IVa_tBu_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-
thumbnail.jpeg18-Apr-2023ts_I-IIb_BzCl2_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023ts_I-IIc2_tBu_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023ts_II-IIIc2_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023ts_IV-IIa_tBu_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023ts_IV-IIc2_BzCl2_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required8-May-2024ts_pOHbS2_-1_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required8-May-2024ts_pOHbS_-1_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Showing results 41 to 55 of 55 < previous