1. Universitat Rovira i Virgili

Browsing by Subject Absorption

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Showing results 1 to 5 of 5
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required27-Jul-2025Excited-StateMasip, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureUPBEPBEDEF2SVP GEN-9128.39342238; Eh
Login required27-Jul-2025Ground-StateMasip, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureUPBEPBEDEF2SVP GEN-9128.4946798; Eh
Login required27-Jul-2025MonomerMasip, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRZINDO; CISVSTO-6G STO-3G-336.266896; Eh
Login required27-Jul-2025NonamerMasip, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRZINDO; CISVSTO-6G STO-3G-3026.1708299; Eh
Login required27-Jul-2025TetramerMasip, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRZINDO; CISVSTO-6G STO-3G-1344.8458703; Eh
Showing results 1 to 5 of 5