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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Jul-2020Mo2O7_1H_BLYPPetrus, EnricADF; 2019Geometry optimizationBLYPTZP-2.77991088; Eh
thumbnail.jpeg24-Jul-2020Mo1O4_1H_BLYPPetrus, EnricADF; 2019Geometry optimizationBLYPTZP-1.65433331; Eh
thumbnail.jpeg24-Jul-2020H3O_BLYPPetrus, EnricADF; 2019Geometry optimizationBLYPTZP-0.44976179; Eh
thumbnail.jpeg24-Jul-2020Mo4O13_0H_BLYPPetrus, EnricADF; 2019Geometry optimizationBLYPTZP-5.05554953; Eh
thumbnail.jpeg24-Jul-2020Mo5O16_0H_BLYPPetrus, EnricADF; 2019Geometry optimizationBLYPTZP-6.13627574; Eh
thumbnail.jpeg24-Jul-20202H2O_BLYPPetrus, EnricADF; 2019Geometry optimizationBLYPTZP-1.02900002; Eh
thumbnail.jpeg24-Jul-2020H5O2_BLYPPetrus, EnricADF; 2019Geometry optimizationBLYPTZP-0.98457151; Eh
thumbnail.jpeg24-Jul-2020Mo4O13_1H_BLYPPetrus, EnricADF; 2019Geometry optimizationBLYPTZP-5.01329032; Eh
thumbnail.jpeg24-Jul-2020Mo1O4_2H_BLYPPetrus, EnricADF; 2019Geometry optimizationBLYPTZP-1.62516135; Eh
thumbnail.jpeg24-Jul-2020Mo2O7_2H_BLYPPetrus, EnricADF; 2019Geometry optimizationBLYPTZP-2.74363097; Eh
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