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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2021TS37Garay Ruiz, DiegoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRM062X; RCCSDGEN AUG-CC-PVTZ-363.0533971; Eh
thumbnail.jpeg1-Dec-2021TS86Garay Ruiz, DiegoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRM062X; RCCSDGEN AUG-CC-PVTZ-363.0230204; Eh
thumbnail.jpeg1-Dec-2021TS104Garay Ruiz, DiegoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRM062X; RCCSDGEN AUG-CC-PVTZ-363.0109101; Eh
thumbnail.jpeg1-Dec-2021TS30Garay Ruiz, DiegoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRM062X; RCCSDGEN AUG-CC-PVTZ-363.0466231; Eh
thumbnail.jpeg1-Dec-2021TS82Garay Ruiz, DiegoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUM062X; UCCSDGEN AUG-CC-PVTZ-362.3728909; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c4c5_cat TS2_LSGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-4796.26237686; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_cat TS4CVillar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-4796.27551501; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_no_cat TS1AVillar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-3226.22114628; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_no_cat TS4BVillar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-3226.24612549; Eh
Results 601-609 of 609 (Search time: 0.002 seconds).