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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_37_2_011-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6462781; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_37_2_011-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6355905; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_37_2_011-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6238471; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_37_2_101-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6391525; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_37_2_101-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6259714; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_37_2_101-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6125708; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_37_2_110-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.626012; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_37_2_110-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6153391; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_37_2_110-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6041908; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_44_2_011-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.64627; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_44_2_101-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6335742; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_44_2_101-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6217847; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_44_2_110-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6250889; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_44_2_110-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6121485; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_44_2_110-110Blancafort, LluísGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6094836; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_47_2_011-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6460954; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_47_2_011-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6336904; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_47_2_011-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6222933; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_47_2_101-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6335673; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_c_47_2_101-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6208944; Eh