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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required2-Mar-2019Monoterpenes-27-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--390.499852814; Eh
Login required2-Mar-2019Monoterpenes-07-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--390.512396551; 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(B-C)-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--390.819441690; 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-C-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--
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-B)-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X--390.789984638; Eh
Login required2-Mar-2019Monoterpenes-L-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--
Login required2-Mar-2019Monoterpenes-H-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X--390.824639790; Eh
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