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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Apr-2023/electrochem frq_opt_phosphirene_re_0_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-3720.22617765; Eh
thumbnail.jpeg6-Apr-2023/electrochem frq_opt_phosphirene_re_1_2Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-3720.05890317; Eh
thumbnail.jpeg6-Apr-2023/electrochem frq_opt_bPh3_re_2_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-3980.08728130; Eh
thumbnail.jpeg6-Apr-2023/electrochem frq_opt_bPh3_re_1_2Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-3980.30197918; Eh
thumbnail.jpeg6-Apr-2023/electrochem frq_opt_bOTf3_re_2_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-6170.43746669; Eh
thumbnail.jpeg6-Apr-2023/electrochem frq_opt_bOTf3_re_1_2Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-6170.66677183; Eh
thumbnail.jpeg6-Apr-2023/electrochem frq_opt_bc2f53_re_1_2Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-5012.18590689; Eh
thumbnail.jpeg6-Apr-2023/electrochem frq_opt_bc2f53_re_2_3Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-5011.95541149; Eh
thumbnail.jpeg6-Apr-2023/electrochem frq_opt_phosphirene_re_2_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-3719.85430542; Eh
thumbnail.jpeg6-Apr-2023/electrochem frq_opt_bPh3_re_-1_2Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-3980.54057257; Eh
Results 31-40 of 171 (Search time: 0.001 seconds).