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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Apr-2023/hia frq_Hbi3_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-919.25426153; Eh
thumbnail.jpeg6-Apr-2023/hia frq_Hbh3_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-27.35663936; Eh
thumbnail.jpeg6-Apr-2023/hia Hbch33_-1_1Martins, FredericoOrca; 5.0.2; RELEASEGeometry optimizationDFTdef2-TZVP-145.32338128; Eh
thumbnail.jpeg6-Apr-2023/fia Fbch33_-1_1Martins, FredericoOrca; 5.0.2; RELEASEGeometry optimizationDFTdef2-TZVP-244.66310757; Eh
thumbnail.jpeg6-Apr-2023/fia Fboh3_-1_1Martins, FredericoOrca; 5.0.2; RELEASEGeometry optimizationDFTdef2-TZVP-352.65875472; Eh
thumbnail.jpeg6-Apr-2023/hia bEt3Martins, FredericoOrca; 5.0.2; RELEASEGeometry optimizationDFTdef2-TZVP-262.60174277; Eh
thumbnail.jpeg6-Apr-2023/hia frq_bEt3Martins, FredericoOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVP-262.60831235; Eh
thumbnail.jpeg6-Apr-2023/hia frq_HbEt3_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-263.30000440; Eh
thumbnail.jpeg6-Apr-2023/hia frq_Hbcl3_-1_1Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-1406.50983159; Eh
thumbnail.jpeg6-Apr-2023/fia Fbc6f5_-1_1Martins, FredericoOrca; 5.0.2; RELEASEGeometry optimizationDFTdef2-TZVP-2307.97916148; Eh
Results 141-150 of 206 (Search time: 0.0 seconds).