Browsing by Author Blancafort, Lluís

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 d_cyc_34_34_2_111-010Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4672835; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 d_cyc_34_34_2_111-100Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4714202; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 d_cyc_34_43_2_010-111Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4760459; 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 d_cyc_34_54_2_111-1x0Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3935326; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 d_cyc_34_76_2_111-10xBlancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3968235; 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_x11-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3996802; 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 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_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_17_34_2_x11-101Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4315792; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox2 s_cyc_17_34_2_x11-110Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4282405; 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 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 s_cyc_23_34_2_011-110Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.3852743; 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_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_34_34_2_101-011Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1023.4517956; Eh