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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Jul-2020Mo3O10_0H_BPPetrus, EnricADF; 2019Geometry optimizationBP86TZP-4.06211496; Eh
thumbnail.jpeg24-Jul-2020Mo8O26_1H_BPPetrus, EnricADF; 2019Geometry optimizationBP86TZP-10.43745892; Eh
thumbnail.jpeg24-Jul-2020Mo8O26_2H_BPPetrus, EnricADF; 2019Geometry optimizationBP86TZP-10.39215182; Eh
thumbnail.jpeg24-Jul-20202H2O_B3LYPPetrus, EnricADF; 2019Geometry optimizationB3LYPTZP-1.27517524; Eh
thumbnail.jpeg24-Jul-2020H5O2_B3LYPPetrus, EnricADF; 2019Geometry optimizationB3LYPTZP-1.24967493; Eh
thumbnail.jpeg24-Jul-2020H2O_B3LYPPetrus, EnricADF; 2019Geometry optimizationB3LYPTZP-0.63444550; Eh
thumbnail.jpeg24-Jul-2020H3O_B3LYPPetrus, EnricADF; 2019Geometry optimizationB3LYPTZP-0.59189990; Eh
thumbnail.jpeg24-Jul-2020Mo1O4_2H_B3LYPPetrus, EnricADF; 2019FrequenciesB3LYPTZP-
thumbnail.jpeg24-Jul-2020Mo1O4_1H_B3LYPPetrus, EnricADF; 2019FrequenciesB3LYPTZP-
thumbnail.jpeg24-Jul-2020Mo1O4_0H_B3LYPPetrus, EnricADF; 2019FrequenciesB3LYPTZP-
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