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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-May-20205MCC-OH_(and_TBD)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1397.16040105; Eh
thumbnail.jpeg19-May-2020TS1Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRwB97XD6-311G(D,P)-1397.15098023; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_cat Int2C-k2Villar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-4796.27227896; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_cat B1Villar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-651.943278985; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_cat B1_AlVillar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-2221.94449429; Eh
thumbnail.jpeg4-Oct-2021L_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2507.53919772; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_cat Int2C_LigVillar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-4796.29495808; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_cat Int1_k2Villar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-4796.28781513; Eh
thumbnail.jpeg4-Oct-2021L_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2507.54394479; Eh
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_cat TS2C_LSVillar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-4796.21919759; Eh
Results 21-30 of 45 (Search time: 0.001 seconds).