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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg4-Dec-2019AcetophenoneOrtuño, ManuelGaussian; 09; EM64L-G09RevD.01Single point TSRM062X6-31G** 6-31+G* GEN-384.746857379; Eh
thumbnail.jpeg4-Dec-2019HMPAOrtuño, ManuelGaussian; 09; EM64L-G09RevD.01Single point TSRM062X6-31G** 6-31+G* GEN-820.114235670; Eh
thumbnail.jpeg4-Dec-2019THFOrtuño, ManuelGaussian; 09; EM64L-G09RevD.01Single point TSRM062X6-31G** 6-31+G* GEN-232.354886050; Eh
thumbnail.jpeg4-Dec-20196TS_(TS6-9)Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Single point TSRM062X6-31G** 6-31+G* GEN-1244.25955430; Eh
thumbnail.jpeg4-Dec-20194TS_(TS4-6)Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Single point TSRM062X6-31G** 6-31+G* GEN-1244.21554635; Eh
Login required28-Oct-2020LDA-close_(dimer)Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Single point TSRM062X6-31G** 6-31+G* GEN-1247.93398405; Eh
Login required28-Oct-20202-closeOrtuño, ManuelGaussian; 09; EM64L-G09RevD.01Single point TSRM062X6-31G** 6-31+G* GEN-2233.50517740; Eh
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