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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Sep-2021Reactants_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2507.50044392; Eh
thumbnail.jpeg31-Jan-2017_1_Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--1568.57414990; Eh
thumbnail.jpeg31-Jan-2017_2constrained_Optimization_part2Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--1568.56491192; Eh
thumbnail.jpeg31-Jan-2017_2_Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--1568.58267882; Eh
thumbnail.jpeg31-Jan-2017_1constrained_OptimizationSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--1568.56047682; Eh
thumbnail.jpeg31-Jan-2017_2_Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--1568.60879801; Eh
thumbnail.jpeg31-Jan-2017_1_Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--1568.60524371; Eh
thumbnail.jpeg31-Jan-2017_1_Optimization_and_Frequencies_part2Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--1298.49164834; Eh
thumbnail.jpeg31-Jan-2017_2_Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--1298.49825930; Eh
thumbnail.jpeg31-Jan-2017_1_Optimization_and_FrequenciesSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBE1PBE--1298.49164836; Eh
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