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Showing results 1974 to 1993 of 4791 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Apr-2023frq_opt_nIb_BzCl2_0_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023frq_opt_nIb_tBu_0_1Mollfulleda, RosaADF; 2019; 304Single point--
thumbnail.jpeg18-Apr-2023frq_opt_nIIb_0_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023frq_opt_nIIIa_0_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023frq_opt_nIVb_BzCl2_0_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg18-Apr-2023frq_opt_nIVb_tBu_0_1Mollfulleda, RosaADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023frq_Os_monomer_DMF_0_0Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023frq_Os_monomer_DMF_0_2Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023frq_Os_monomer_DMF_0_4Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023frq_Os_monomer_DMF_2_0Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023frq_Os_monomer_DMF_2_2Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023frq_pFRu2_0_1Mollfulleda, RosaADF; 2019; 307Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023frq_pFRuCl2_0_1Mollfulleda, RosaADF; 2019; 307Single pointS12g-x PBEcTZ2P-
Login required8-May-2024frq_rcOHbS_0_1Mollfulleda, RosaADF; 2019; 304Single 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-
thumbnail.jpeg29-Mar-2023frq_Rh_monomer_DMF_1_0Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023frq_Rh_monomer_DMF_1_2Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023frq_Rh_monomer_DMF_1_4Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg7-Nov-2023frq_Ru1pF_0_2Mollfulleda, RosaADF; 2019; 307Single pointS12g-x PBEcTZ2P-