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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required29-Jun-2018/upload/Me_oDCB A_TSdos Passos Gomes, GabrielGaussian; 09; AM64L-G09RevC.01Geometry optimization TSRM062X--1227.24904348; Eh
Login required29-Jun-2018/upload/prototype A_TSdos Passos Gomes, GabrielGaussian; 09; EM64L-G09RevC.01Geometry optimization TSRM062X--596.850736827; Eh
Login required3-Aug-2018rev_TS_TBD_dos Passos Gomes, GabrielGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--841.536499015; Eh
Login required29-Jun-2018/upload/TBD B_TS_TBDdos Passos Gomes, GabrielGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--841.537721311; Eh
Login required3-Aug-2018rev_TS_guaMe_2dos Passos Gomes, GabrielGaussian; 16; ES64L-G16RevB.01Geometry optimization TSRM062X--686.704648052; Eh
Login required29-Jun-2018/upload/Me_oDCB C_TSdos Passos Gomes, GabrielGaussian; 09; AM64L-G09RevC.01Geometry optimization TSRM062X--1227.26739340; Eh
Login required2-Mar-2019Monoterpenes-TS(LOAc-B)-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X--619.827940226; Eh
Login required2-Mar-2019Monoterpenes-TS(E-F)-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X--390.778698815; Eh
Login required2-Mar-2019Monoterpenes-TS(D-J)-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X--390.848164221; Eh
Login required2-Mar-2019Monoterpenes-TS(A-LOAc)-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X--619.827534800; Eh
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