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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required2-Mar-2019Monoterpenes-G-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--390.835595171; Eh
Login required2-Mar-2019Monoterpenes-C-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--
Login required2-Mar-2019Monoterpenes-B-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--390.830305853; 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(C-E)-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X--390.826345901; 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
Login required2-Mar-2019Monoterpenes-J-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--390.849975742; Eh
Login required2-Mar-2019Monoterpenes-F-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--390.855200963; 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(C-G)-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X--390.828603434; Eh
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