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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3mosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2986.40150349; Eh
thumbnail.jpeg18-Jul-2018N2CHCO2EtBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-415.673385500; Eh
thumbnail.jpeg18-Jul-2018N2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-109.452344644; Eh
thumbnail.jpeg18-Jul-2018I4_TpAg=carbeneBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*; lanl2dz-4528.44874152; Eh
thumbnail.jpeg18-Jul-2018I5_TpAgcarbene(CH4)Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*; lanl2dz-4568.94464288; Eh
thumbnail.jpeg18-Jul-2018productBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*-346.785857742; Eh
thumbnail.jpeg18-Jul-2018I1_TpAgTHFBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*; lanl2dz-4454.55532093; Eh
thumbnail.jpeg18-Jul-2018I6_TpAg(product)Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*; lanl2dz-4569.04528996; Eh
thumbnail.jpeg18-Jul-2018TS1_N2estrBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g*; lanl2dz-4637.90176003; Eh
thumbnail.jpeg18-Jul-2018TS2_P0methaneBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g*; lanl2dz-4568.94290862; Eh
Results 61-70 of 4308 (Search time: 0.002 seconds).