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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-May-20205MCC-Int_(and_TBD-H(+))Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1397.14245263; Eh
thumbnail.jpeg19-May-20206MCC-Int1_(and_TBD-H(+))Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1397.14615689; Eh
thumbnail.jpeg19-May-20205MCC-O_(and_TBD-H(+))Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1397.15501828; Eh
thumbnail.jpeg19-May-20205MCC-OH_(and_TBD)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1397.16040105; Eh
thumbnail.jpeg19-May-2020TS2_(freq)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Single point StructureRwB97XD6-311G(D,P)-1397.13542538; Eh
thumbnail.jpeg19-May-2020TS2_(opt)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRwB97XD6-311G(D,P)-1397.13542538; Eh
thumbnail.jpeg19-May-2020TS1Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRwB97XD6-311G(D,P)-1397.15098023; Eh
thumbnail.jpeg19-May-20206MCC-O-2_(with_TBD-H(+)_and_AcIm)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1776.01684527; Eh
thumbnail.jpeg19-May-20206MCC-OAc_(with_TBD_and_Im-H)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1776.03950672; Eh
thumbnail.jpeg19-May-20206MCC-Int2_(and_TBD-H(+))Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1776.01727014; Eh
Results 1-10 of 22 (Search time: 0.001 seconds).