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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required2-Mar-2019Monoterpenes-M-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X--390.824224393; Eh
Login required2-Mar-2019Monoterpenes-D-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--390.837624534; Eh
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(LOAc-B)-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062X--619.827940226; 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-O-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--390.853139736; Eh
Login required2-Mar-2019Monoterpenes-I-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--390.855526527; Eh
Login required2-Mar-2019Monoterpenes-G-M06-2X_6-31+(d,p)Pahima, EfratGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X--390.835595171; Eh
thumbnail.jpeg7-Dec-20214_primeLaconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
thumbnail.jpeg7-Dec-20215Laconsay, CroixGaussian; 09; AM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-
Results 231-240 of 326 (Search time: 0.001 seconds).