1. Institute of Chemical Research of Catalonia

Browsing by Subject electrosynthesis

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Showing results 1 to 20 of 23  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Feb-2025biph-radicalDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ GEN-462.8019372; Eh
thumbnail.jpeg3-Feb-2025br-radicalDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ GEN-2574.1914101; Eh
thumbnail.jpeg3-Feb-2025bromobiphenylDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GEN-3037.1183927; Eh
thumbnail.jpeg3-Feb-2025bromocyclohexaneDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GEN-2809.6215927; Eh
thumbnail.jpeg3-Feb-2025cyc-radicalDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ GEN-235.3149792; Eh
thumbnail.jpeg3-Feb-2025lni0Díaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GEN-2554.5507331; Eh
thumbnail.jpeg3-Feb-2025lni0br-tDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ GEN-5128.9852176; Eh
thumbnail.jpeg3-Feb-2025lni1Díaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ GEN-2554.4793189; Eh
thumbnail.jpeg3-Feb-2025lni1brDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ GEN-5128.890208; Eh
thumbnail.jpeg3-Feb-2025lni1oacDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ GEN-2783.2071372; Eh
thumbnail.jpeg3-Feb-2025lni2brDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ GEN-5128.7723593; Eh
thumbnail.jpeg3-Feb-2025lni2oacDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GEN-2783.0972138; Eh
thumbnail.jpeg3-Feb-2025op-ni1-qDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ GEN-3600.5548995; Eh
thumbnail.jpeg3-Feb-2025op-tDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ GEN-3600.5160374; Eh
thumbnail.jpeg3-Feb-2025prod-biphbiphDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GEN-925.7900082; Eh
thumbnail.jpeg3-Feb-2025prod-biphcycDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GEN-698.2754438; Eh
thumbnail.jpeg3-Feb-2025prod-cyccycDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYPCC-PVTZ GEN-470.7601942; Eh
thumbnail.jpeg3-Feb-2025ts-br-abstraction-biphDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ GEN-5591.5729923; Eh
thumbnail.jpeg3-Feb-2025ts-br-abstraction-cycDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ GEN-5364.0864194; Eh
thumbnail.jpeg3-Feb-2025ts-srt-biphbiphDíaz-Ruiz, MarinaGaussian; 16; AM64L-G16RevA.03Single point StructureUB3LYPCC-PVTZ GEN-3499.9172203; Eh
Showing results 1 to 20 of 23  next >