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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Anti_Si_Down_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.25714422; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T4Syn_Si_Down_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.24429473; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I3_Si_Up_Cis_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--1473.66228572; Eh
thumbnail.jpeg2-May-2019INT3noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2756.0277387; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 I5Anti_Si_Up_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRM062X--2278.28655131; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T6Anti_Si_Up_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRM062X--2278.27843489; Eh
thumbnail.jpeg7-Apr-2019/Catalytic_cycle_1 T5Anti_Si_Up_Trans_1Fianchini, MauroGaussian; 16; AM64L-G16RevA.03Single point StructureRM062X--2278.26016321; Eh
thumbnail.jpeg2-May-2019INT4noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2679.6154596; Eh
thumbnail.jpeg2-May-2019INT4noaBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--2680.38656520; Eh
thumbnail.jpeg2-May-2019INT12Besora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--3177.65384282; Eh
Results 7601-7610 of 13266 (Search time: 0.006 seconds).