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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_34_2_101-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6390845; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_34_2_101-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6267379; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_34_2_101-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.616855; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_34_2_110-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6276516; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_34_2_110-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6153384; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_34_2_110-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6074174; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_37_2_011-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6464583; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_37_2_011-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.635843; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_37_2_011-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6239323; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_37_2_101-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6383112; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_37_2_101-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6262415; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_37_2_101-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6156822; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_37_2_110-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6272001; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_37_2_110-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6157293; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_37_2_110-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6032173; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_44_2_011-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6460063; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_44_2_101-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.634191; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_44_2_101-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6220099; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_44_2_110-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6245184; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_44_2_110-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6124207; Eh