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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Jun-2019/Pinacolato TS4after2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1446.79026117; Eh
Login required21-Jun-2019/Pinacolato TS4-afterMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1446.79207287; Eh
Login required21-Jun-2019/Pinacolato TS4C_BMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1446.74562497; Eh
Login required21-Jun-2019/Pinacolato benzofuran2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311G**-383.762669728; Eh
Login required21-Jun-2019/Pinacolato Prev_benzofuran2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1713.56545359; Eh
Login required21-Jun-2019/Pinacolato TS1_benzofuran2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1713.52611512; Eh
thumbnail.jpeg29-Sep-2021Reactants_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2507.50044392; Eh
thumbnail.jpeg17-Jul-2019CODMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G** GEN-312.015145030; Eh
thumbnail.jpeg17-Jul-2019NiCODMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLANL2DZ 6-311G** GEN-793.391945770; Eh
thumbnail.jpeg17-Jul-2019Post-TS2-adduct-monoMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLANL2DZ 6-311G** GEN-2017.82202830; Eh
Results 11-20 of 1328 (Search time: 0.059 seconds).