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Browsing by Author Mollfulleda, Rosa

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Showing results 21 to 40 of 55 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Apr-2023frq_ts2_III-IVa_tBu_0_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023frq_ts2_III-IVb_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_I-IIc2_tBu_0_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023frq_ts_II-IIIc2_0_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023frq_ts_IV-IIa_tBu_0_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023frq_ts_IV-IIc2_BzCl2_0_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-2024fwd_frq_ts_pOHbS2_-1_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
Login required8-May-2024fwd_frq_ts_pOHbS_-1_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-2023opt_nIb_BzCl2_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023opt_nIb_tBu_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023opt_nIIb_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023opt_nIIIa_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023opt_nIVb_BzCl2_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023opt_nIVb_tBu_0_1Mollfulleda, RosaADF; 2019; 304Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023opt_pFRu2_0_1Mollfulleda, RosaADF; 2019; 307Single point QuildS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023opt_pFRuCl2_0_1Mollfulleda, RosaADF; 2019; 307Single point QuildS12g-x PBEcTZ2P-
Showing results 21 to 40 of 55 < previous   next >