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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Oct-2021/lin/ox0 s_lin_c_34_0_000-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1027.1444774; Eh
thumbnail.jpeg2-Oct-2021/lin/ox0 s_lin_c_37_0_000-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1027.146848; Eh
thumbnail.jpeg2-Oct-2021/lin/ox0 s_lin_c_44_0_000-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1027.1427463; Eh
thumbnail.jpeg2-Oct-2021/lin/ox0 s_lin_c_47_0_000-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1027.1474664; Eh
thumbnail.jpeg2-Oct-2021/lin/ox0 s_lin_c_77_0_000-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1027.1468333; Eh
thumbnail.jpeg2-Oct-2021/lin/ox0 s_lin_t_22_0_000-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1027.1529894; Eh
thumbnail.jpeg2-Oct-2021/lin/ox0 s_lin_t_23_0_000-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1027.1503872; Eh
thumbnail.jpeg2-Oct-2021/lin/ox0 s_lin_t_24_0_000-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1027.1471334; Eh
thumbnail.jpeg2-Oct-2021/lin/ox0 s_lin_t_27_0_000-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1027.1476431; Eh
thumbnail.jpeg2-Oct-2021/lin/ox0 s_lin_t_33_0_000-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1027.1476067; Eh
thumbnail.jpeg2-Oct-2021/lin/ox0 s_lin_t_34_0_000-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1027.1451262; Eh
thumbnail.jpeg2-Oct-2021/lin/ox0 s_lin_t_37_0_000-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1027.1468539; Eh
thumbnail.jpeg2-Oct-2021/lin/ox0 s_lin_t_44_0_000-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1027.1431058; Eh
thumbnail.jpeg2-Oct-2021/lin/ox0 s_lin_t_47_0_000-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1027.1444174; Eh
thumbnail.jpeg2-Oct-2021/lin/ox0 s_lin_t_77_0_000-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1027.1441042; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_c_22_1_001-001Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.9120754; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_c_22_1_100-001Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8931536; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_c_22_1_100-100Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8622063; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_c_23_1_001-100Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.9051083; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 d_lin_c_23_1_100-100Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.879208; Eh