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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_23_2_110-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6135125; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_24_2_011-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6499643; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_24_2_011-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6369978; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_24_2_011-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6257484; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_24_2_101-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6435903; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_24_2_101-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6298906; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_24_2_101-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6166963; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_24_2_110-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6317682; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_24_2_110-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6190016; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_24_2_110-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6093845; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_27_2_011-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6491616; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_27_2_011-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6401978; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_27_2_011-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6277736; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_27_2_101-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6513587; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_27_2_101-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6239247; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_27_2_101-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6126662; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_27_2_110-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6377533; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_27_2_110-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6150752; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_27_2_110-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6058521; Eh
thumbnail.jpeg2-Oct-2021/lin/ox2 s_lin_t_33_2_011-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6473711; Eh