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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_17_43_2_x11-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4412296; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_17_71_2_x11-x11Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4116883; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_23_34_2_011-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4147503; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_23_34_2_011-101Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3964427; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_23_34_2_101-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4128183; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_23_34_2_101-101Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3980149; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_23_34_2_101-110Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.385952; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_23_34_2_110-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4011969; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_23_34_2_110-101Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3800773; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_23_34_2_110-110Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3745429; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_23_43_2_011-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4151918; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_23_43_2_011-101Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3904; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_23_43_2_011-110Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3863286; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_23_43_2_101-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4120134; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_23_43_2_101-101Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3954012; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_23_43_2_101-110Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3849623; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_23_43_2_110-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4006996; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_23_43_2_110-101Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3766852; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_34_2_101-101Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4356072; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_34_2_110-101Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.428963; Eh