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Showing results 1878 to 1897 of 4618 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Mar-2023frq_CN_Rh_monomer_DMF_0_4Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023frq_Cr_monomer_DMF_0_2Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023frq_Cr_monomer_DMF_0_4Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023frq_Cr_monomer_DMF_1_1Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg29-Mar-2023frq_Cr_monomer_DMF_1_3Martins, FredericoADF; 2019; 304Single pointS12g-x PBEcTZ2P-
thumbnail.jpeg20-Oct-2023frq_cycoctA_0_1_2220289_outSwart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023frq_cycoctO_0_1_1246876_outSwart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023frq_dfTHIO_0_1_2220290_outSwart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023frq_dfTHIOO_0_1_1247295_outSwart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023frq_dha_0_1_2220291_outSwart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023frq_DHAol_0_1_1246820_outSwart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023frq_dmTHIO_0_1_2220292_outSwart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023frq_dmTHIOO_0_1_1246823_outSwart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
Login required10-Apr-2024frq_explsolv_alc6f5Martins, FredericoOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-TZVP-2698.54342531; Eh
Login required10-Apr-2024frq_expsolv_bc6f5Martins, FredericoOrca; 5.0.4; RELEASESingle point MinimumDFTdef2-TZVP-2480.90746196; Eh
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-
thumbnail.jpeg20-Oct-2023frq_ic_0_1_2219975_outSwart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023frq_ic_2_1_2219614_outSwart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
thumbnail.jpeg20-Oct-2023frq_ic_2_3_2219615_outSwart, MarcelADF; 2019; 304Single point4. 2. 1TZ2P-
Showing results 1878 to 1897 of 4618 < previous   next >