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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bbr3_re_0_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-11008.72087227; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bbr3_w_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-10997.60983711; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bc6f5_mo_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-5459.66008160; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bc6f5_re_0_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-5469.68173581; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bc6f5_w_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-5458.55614047; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bch3_mo_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-3395.04436055; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bch3_re_0_1Martins, FredericoOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVP-3405.07860720; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bch3_w_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-3393.93869611; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bf3_mo_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-3575.14083894; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bf3_w_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-3574.03745019; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bh3_mo_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-3277.05075357; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bh3_re_0_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-3287.08159178; Eh
thumbnail.jpeg6-Apr-2023/adducts frq_opt_bh3_w_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-3275.94586021; Eh
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