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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required3-Jan-2023SQ-Me_D0_MinBlancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUM062X6-311G(D,P)-1324.57632863; Eh
Login required3-Jan-2023SQ-Me_(5-OH)Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUPBE1PBE6-311G(D,P)-1323.56238728; Eh
Login required3-Jan-2023SQ-Me_(6-OH)Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUPBE1PBE6-311G(D,P)-1323.55800629; Eh
Login required3-Jan-2023IQ-Me_anion_D0_MinBlancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUPBE1PBE6-311G(D,P)-1322.97065748; Eh
Login required3-Jan-2023IQ-Me_S1_MinBlancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRPBE1PBE; TD-FC6-311G(D,P)-1322.92531398; Eh
Login required3-Jan-2023DHI-Me_S0_MinBlancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-311G(D,P)-1325.20473245; Eh
Login required3-Jan-2023IQ-Me_S0_MinBlancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRPBE1PBE6-311G(D,P)-1322.89103709; Eh
Login required3-Jan-2023IQ-Me_S0_MinBlancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-311G(D,P)-1323.95248295; Eh
Login required3-Jan-2023IQ-Me_S0_MinBlancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRPBE1PBE6-311G(D,P)-1322.93415064; Eh
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