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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-May-2019TS1noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2756.0187814; Eh
thumbnail.jpeg2-May-2019INT2noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2756.0432177; Eh
thumbnail.jpeg2-May-2019TS2_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--3176.7293936; Eh
thumbnail.jpeg2-May-2019product_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--731.6337779; Eh
thumbnail.jpeg2-May-2019INT6_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2679.6157577; Eh
thumbnail.jpeg2-May-2019TS2noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2756.0141772; Eh
thumbnail.jpeg2-May-2019INT4noa_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2679.6154596; Eh
thumbnail.jpeg2-May-2019catalyst_H2O_m06spBesora, MariaGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--2024.4089164; Eh
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