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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_34_2_110-110Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4273165; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_43_2_011-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4616408; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_43_2_011-101Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.454259; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_43_2_011-110Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4532504; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_43_2_101-110Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4304989; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_45_2_011-1x1Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4116361; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_45_2_101_1x1Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4009262; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_45_2_110-1x1Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4030934; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_54_2_011-1x1Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3984009; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_54_2_101-1x1Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.400984; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_54_2_110-1x1Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3858597; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_67_2_110-11xBlancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3695146; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 s_cyc_34_76_2_110-11xBlancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3953648; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 z_cyc_12_34_2_x10-111Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3686869; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 z_cyc_12_43_2_x10-111Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3777337; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 z_cyc_17_23_2_x10-111Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3754301; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 z_cyc_17_34_2_x10-111Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4246668; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 z_cyc_17_43_2_x10-111Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4318438; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 z_cyc_23_34_2_010-111Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3938248; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox2 z_cyc_23_34_2_111-001Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3804732; Eh