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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bi3_mo_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-4168.94763715; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bi3_re_0_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-4178.95482561; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bi3_w_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-4167.84715768; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bnc6f53_mo_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-7808.26754807; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bnc6f53_re_0_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-7818.28230741; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bnc6f53_w_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-7807.16430337; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bsh3_mo_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-4471.90664333; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bsh3_re_0_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-4481.92537770; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bsh3_w_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-4470.80377328; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_optTS_alcl3_mo_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-4873.92411242; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_optTS_bc2f53_mo_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-5002.36514736; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_optTS_bc2f53_re_0_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-5012.37909132; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_optTS_bc2f53_w_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-5001.26252369; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_optTS_bcl3_mo_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point Minimum; Single point MinimumDFTdef2-TZVP-4656.20348896; -4656.20349003; Eh; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_optTS_bcl3_re_0_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-4666.21724787; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_optTS_bcl3_w_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-4655.10170147; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_optTS_boh3_mo_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point Minimum; Single point MinimumDFTdef2-TZVP-3502.99572697; -3502.99572682; Eh; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_optTS_boh3_re_0_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-3513.04666068; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_optTS_boh3_w_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-3501.89140849; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_optTS_bOTf3_re_0_1Martins, FredericoOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVP-6170.87023227; Eh