1. Institute of Chemical Research of Catalonia

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Jul-2021V04O12_0HPetrus, EnricADF; 2019Geometry optimizationPBETZP-5.33549087; Eh
thumbnail.jpeg29-Jul-2021Ta16O49_7HPetrus, EnricADF; 2019Geometry optimizationPBETZP-23.43534686; Eh
thumbnail.jpeg29-Jul-2021Ta5O14_0HPetrus, EnricADF; 2019Geometry optimizationPBETZP-6.57729082; Eh
thumbnail.jpeg29-Jul-2021Ta5O14_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-6.56565112; Eh
thumbnail.jpeg29-Jul-2021V03O10_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-4.50032053; Eh
thumbnail.jpeg29-Jul-2021TaO3_3HPetrus, EnricADF; 2019Geometry optimizationPBETZP-1.21195659; Eh
thumbnail.jpeg29-Jul-2021H5O2Petrus, EnricADF; 2019Geometry optimizationPBETZP-1.02823881; Eh
thumbnail.jpeg29-Jul-2021H4O2Petrus, EnricADF; 2019Geometry optimizationPBETZP-1.06528563; Eh
thumbnail.jpeg29-Jul-2021H3OPetrus, EnricADF; 2019Geometry optimizationPBETZP-0.47246543; Eh
thumbnail.jpeg29-Jul-2021H2OPetrus, EnricADF; 2019Geometry optimizationPBETZP-0.52905636; Eh
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