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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 s_cyc_17_23_2_x11-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4115555; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 s_cyc_34_76_2_101-11xBlancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3938848; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 d_cyc_12_34_2_x01-111Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4003588; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 s_cyc_34_34_2_110-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4432342; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 d_cyc_23_43_2_111-100Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3959321; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 s_cyc_17_32_2_x11-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4103705; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 s_cyc_12_34_2_x11-101Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3807934; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 s_cyc_12_43_2_x11-101Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3885216; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 d_cyc_34_45_2_111-1x0Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3985069; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 s_cyc_34_67_2_011-11xBlancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3871954; Eh
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