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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_24_1_000-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.9009946; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_24_1_000-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8885998; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_24_1_000-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8813599; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_24_1_011-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.9022686; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_24_1_101-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8892578; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_24_1_110-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8777251; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_27_1_000-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.9006136; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_27_1_000-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8902519; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_27_1_000-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8741972; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_27_1_011-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.9016843; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_27_1_101-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.900247; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_27_1_110-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8874761; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_33_1_011-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8970861; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_33_1_101-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8949517; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_33_1_110-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8783321; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_34_1_000-011Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8986483; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_34_1_000-101Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8857173; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_34_1_000-110Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8806034; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_34_1_011-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8946822; Eh
thumbnail.jpeg2-Oct-2021/lin/ox1 s_lin_c_34_1_101-000Blancafort, LluísGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8886404; Eh