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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes cncunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-459.719812279; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2fecl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1505.82685182; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes shmno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-728.754516603; Eh
thumbnail.jpeg9-Nov-2018/water/ligands aq-cob3lypBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-113.3160252; Eh
thumbnail.jpeg8-Nov-2018/water/complexes aq-sime3feco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-986.7613016; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcrush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1916.43657437; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ch3-pdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-511.031950370; Eh
thumbnail.jpeg2-May-2019cat9_TS4synsiB_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2601.6601937; Eh
thumbnail.jpeg2-May-2019cat9_TS4synsiA_spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRB97D--2601.6595691; Eh
thumbnail.jpeg2-May-2019INT5noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2679.6112315; Eh
Results 3761-3770 of 3924 (Search time: 0.007 seconds).