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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required29-Mar-2020Scan-TS3-noAsPh3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Single point Minimum-LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D)-11051.5263886; Eh
thumbnail.jpeg19-Nov-2018/RS_1_to_RRS_1_DFT RS-1toRRS-2_B3LYP_6-31plGdp_transition-stateVan der Kamp, Marc; Serapian, StefanoGaussian; 09; ES64L-G09RevD.01Single point MinimumRB3LYP--1612.70986788; Eh
thumbnail.jpeg19-Nov-2018/SR_1_to_RSR_1_Semiempirical SR-1toRSR-2_DFTB3_RSR-2productVan der Kamp, Marc; Serapian, StefanoGaussian; 09; AS64L-G09RevD.01Single point MinimumRDFTB--85.1353335038; Eh
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