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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcfeco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-803.557813359; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcnbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-506.968090863; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcmno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-555.930507590; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2gacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1460.93003049; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhckBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-254.378992612; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ph2-ph2-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-725.104901133; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ncsyh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-911.197748101; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2cuch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-315.300806238; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh3incl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-978.704251164; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh3cucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-346.815332707; Eh
Results 4881-4890 of 9919 (Search time: 0.008 seconds).