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Showing results 2074 to 2093 of 4604 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Mar-2023/GROUP_B/Triplet 15-1,4-DioxindiiumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-304.1917376; Eh
thumbnail.jpeg21-Mar-2023/GROUP_B/Triplet 16-1,3-DioxindiiumEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-304.1586072; Eh
thumbnail.jpeg26-Mar-2023/GROUP_B/Triplet 17-1,4-Phenyl_DianionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-230.6069151; Eh
thumbnail.jpeg26-Mar-2023/GROUP_B/Triplet 18-1,3-Phenyl_DianionEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-230.6118992; Eh
thumbnail.jpeg26-Mar-2023/GROUP_B/Triplet 19-1,4-DiphosphorinEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-837.2852678; Eh
thumbnail.jpeg26-Mar-2023/GROUP_B/Triplet 19H+-1,4-Diphosphorin_H+Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-837.6646639; Eh
thumbnail.jpeg21-Mar-2023/GROUP_B/Triplet 7-PyridazineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-264.1123428; Eh
thumbnail.jpeg21-Mar-2023/GROUP_B/Triplet 8-PyrimidineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-264.1072627; Eh
thumbnail.jpeg21-Mar-2023/GROUP_B/Triplet 9-PyrazineEscayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-264.119896; Eh
thumbnail.jpeg26-Mar-2023/GROUP_B/Triplet 9H+-Pyrazine_H+Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P)-264.4853656; Eh
thumbnail.jpeg26-Mar-2023/GROUP_C/Singlet 20Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P) LANL2DZ GENECP-1907.9842999; Eh
thumbnail.jpeg26-Mar-2023/GROUP_C/Singlet 21Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureRCAM-B3LYP6-311+G(D,P) LANL2DZ GENECP-2250.2715247; Eh
thumbnail.jpeg26-Mar-2023/GROUP_C/Triplet 20Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P) LANL2DZ GENECP-1907.9798986; Eh
thumbnail.jpeg26-Mar-2023/GROUP_C/Triplet 21Escayola, SilviaGaussian; 16; ES64L-G16RevB.01Single point StructureUCAM-B3LYP6-311+G(D,P) LANL2DZ GENECP-2250.2789122; Eh
thumbnail.jpeg18-Oct-2022h1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-1.0898042; Eh
thumbnail.jpeg19-Oct-2022h1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-1.0898042; Eh
thumbnail.jpeg13-Feb-2023h1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-1.0898042; Eh
thumbnail.jpeg18-Oct-2022h2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-2.173194; Eh
thumbnail.jpeg19-Oct-2022h2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-2.173194; Eh
thumbnail.jpeg13-Feb-2023h2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-2.173194; Eh
Showing results 2074 to 2093 of 4604 < previous   next >