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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 s_cyc_34_43_2_101-101Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4412291; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 s_cyc_23_43_2_110-110Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3749163; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 s_cyc_34_67_2_101-11xBlancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3887156; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 s_cyc_34_34_2_011-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4488474; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 s_cyc_17_43_2_x11-101Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4374315; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 z_cyc_17_32_2_x01-111Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.376276; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 z_cyc_34_54_2_111-0x1Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3974662; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 s_cyc_17_43_2_x11-110Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4368834; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 d_cyc_17_34_2_x01-111Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4465307; Eh
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