1. Universitat Rovira i Virgili

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Collection hits:
Collection Name
Hidden Blue Emission in [60] Fullerene
Bioactivity of Decavanadate Compounds
Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Jun-2025v10-HMasip, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-2822.86416268; Eh
thumbnail.jpeg27-Jul-2025TetramerMasip, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRZINDO; CISVSTO-6G STO-3G-1344.8458703; Eh
thumbnail.jpeg27-Jul-2025NonamerMasip, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRZINDO; CISVSTO-6G STO-3G-3026.1708299; Eh
thumbnail.jpeg27-Jul-2025Ground-StateMasip, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureUPBEPBEDEF2SVP GEN-9128.4946798; Eh
thumbnail.jpeg27-Jul-2025MonomerMasip, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRZINDO; CISVSTO-6G STO-3G-336.266896; Eh
thumbnail.jpeg27-Jul-2025Excited-StateMasip, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureUPBEPBEDEF2SVP GEN-9128.39342238; Eh
thumbnail.jpeg8-Apr-2026I0Arenas Baeza, Carmen MaríaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-1804.52845487; Eh
thumbnail.jpeg8-Apr-2026I1Arenas Baeza, Carmen MaríaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-2022.50565563; Eh
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