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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Oct-2021/cyc/ox1 z_cyc_34_45_1_001-0x1Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6366701; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 s_cyc_34_76_1_000-11xBlancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6521676; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 d_cyc_17_34_1_x01-010Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6945133; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 s_cyc_12_17_1_x00-x11Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6035324; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 z_cyc_12_71_1_x01-x01Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6343923; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 z_cyc_23_43_1_001-001Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6435915; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 s_cyc_17_71_1_x00-x11Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6641705; Eh
thumbnail.jpeg2-Oct-2021/cyc/ox1 s_cyc_12_43_1_x11-000Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6494251; 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/ox1 d_cyc_34_67_1_010-10xBlancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1024.6323126; Eh
Results 711-720 of 780 (Search time: 0.001 seconds).