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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2021/cyc//cyc ox0 s_cyc_12_17_0_x00-x00Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8488296; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox0 s_cyc_12_34_0_x00-000Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8902229; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox0 s_cyc_17_23_0_x00-000Blancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.8987665; Eh
thumbnail.jpeg3-Oct-2021/cyc//cyc ox0 s_cyc_34_76_0_000-00xBlancafort, LluísGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP; TD-FC6-311G(D,P)-1025.924259; Eh
thumbnail.jpeg23-Apr-2022C6F5Cl_D_ESIglesias-Reguant, AlexGaussian; 16; EM64L-G16RevC.01Single point StructureTD-FCAUG-CC-PVDZ GEN-2507.48245091; Eh
thumbnail.jpeg23-Apr-2022C6F5Cl_D_absIglesias-Reguant, AlexGaussian; 16; EM64L-G16RevC.01Single point StructureTD-FCAUG-CC-PVDZ GEN-2507.4911624; Eh
thumbnail.jpeg23-Apr-2022C6F5Br_D_ESIglesias-Reguant, AlexGaussian; 16; EM64L-G16RevC.01Single point StructureTD-FCAUG-CC-PVDZ GEN-2464.65452434; Eh
thumbnail.jpeg23-Apr-2022C6F5Br_D_absIglesias-Reguant, AlexGaussian; 16; EM64L-G16RevC.01Single point StructureTD-FCAUG-CC-PVDZ GEN-2464.6653923; Eh
thumbnail.jpeg23-Apr-2022C6F5I_D_ESIglesias-Reguant, AlexGaussian; 16; EM64L-G16RevC.01Single point StructureTD-FCAUG-CC-PVDZ GEN-2342.36200798; Eh
thumbnail.jpeg23-Apr-2022C6F5I_D_absIglesias-Reguant, AlexGaussian; 16; EM64L-G16RevC.01Single point StructureTD-FCAUG-CC-PVDZ GEN-2342.3748465; Eh
Results 841-850 of 850 (Search time: 0.001 seconds).