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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-May-2020TS6Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRwB97XD6-311G(D,P)-1775.99993241; Eh
thumbnail.jpeg14-Nov-202032-TS1-3aEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRBP866-31G* SDD GENECP-1560.78135974; Eh
thumbnail.jpeg30-Sep-2021/DCM/EG_LG_DCM sh_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-398.945886688; Eh
thumbnail.jpeg18-Feb-2021/Isopropylbenzene Py_Add_ProdGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-670.499220692; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3cl ch3cl-oh_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-576.086475954; Eh
thumbnail.jpeg14-Nov-202032-TS1-2bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRBP866-31G* SDD GENECP-1560.78286990; Eh
thumbnail.jpeg14-Nov-202032-Int3aEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP866-31G* SDD GENECP-1560.79641003; Eh
thumbnail.jpeg14-Nov-20209ba-TS1a-5Escofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1564.24784951; Eh
thumbnail.jpeg14-Nov-20209ab-Int1cEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1564.26731024; Eh
thumbnail.jpeg14-Nov-20209b-TS6-7bEscofet, ImmaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-1448.57804943; Eh
Results 7651-7660 of 17380 (Search time: 0.011 seconds).