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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required2-Mar-2019Monoterpenes-05-M06-2XPahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--390.511137018; Eh
Login required2-Mar-2019Monoterpenes-03-M06-2XPahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--390.519795575; 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(D-E)-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X--390.830348911; Eh
Login required2-Mar-2019Monoterpenes-TS(C-D)-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X--390.826564066; Eh
Login required2-Mar-2019Monoterpenes-TS(A-B)-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X--390.789984638; Eh
Login required2-Mar-2019Monoterpenes-N-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--390.859876868; Eh
Login required2-Mar-2019Monoterpenes-K-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--390.849545598; Eh
Login required2-Mar-2019Monoterpenes-L-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--
Login required2-Mar-2019Monoterpenes-I-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--390.855526527; Eh
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