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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Aug-2018VBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUBP866-31g(d); sdd-1114.53305168; Eh
thumbnail.jpeg22-Feb-2020VGarcĂ­a, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3021.98855971; Eh
Login required27-Jul-2021V01O4_0HPetrus, EnricADF; 2019Geometry optimizationPBETZP-1.78742553; Eh
Login required28-Jul-2021V01O4_0HPetrus, EnricADF; 2019Geometry optimizationPBETZP-1.78742553; Eh
Login required27-Jul-2021V01O4_0HPetrus, EnricADF; 2019Geometry optimizationPBETZP-1.78742553; Eh
Login required29-Jul-2021V01O4_0HPetrus, EnricADF; 2019Geometry optimizationPBETZP-1.78742553; Eh
Login required27-Jul-2021V01O4_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-1.83716855; Eh
Login required27-Jul-2021V01O4_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-1.83716855; Eh
Login required28-Jul-2021V01O4_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-1.83716855; Eh
Login required29-Jul-2021V01O4_1HPetrus, EnricADF; 2019Geometry optimizationPBETZP-1.83716855; Eh
Login required27-Jul-2021V01O4_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-1.85877485; Eh
Login required28-Jul-2021V01O4_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-1.85877485; Eh
Login required29-Jul-2021V01O4_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-1.85877485; Eh
Login required27-Jul-2021V01O4_2HPetrus, EnricADF; 2019Geometry optimizationPBETZP-1.85877485; Eh
Login required27-Jul-2021V01O5_5HPetrus, EnricADF; 2019Geometry optimizationPBETZP-2.36305573; Eh
Login required28-Jul-2021V01O5_5HPetrus, EnricADF; 2019Geometry optimizationPBETZP-2.36305573; Eh
Login required27-Jul-2021V01O5_5HPetrus, EnricADF; 2019Geometry optimizationPBETZP-2.36305573; Eh
Login required29-Jul-2021V01O5_5HPetrus, EnricADF; 2019Geometry optimizationPBETZP-2.36305573; Eh
Login required27-Jul-2021V01O5_6HPetrus, EnricADF; 2019Geometry optimizationPBETZP-2.32619358; Eh
Login required28-Jul-2021V01O5_6HPetrus, EnricADF; 2019Geometry optimizationPBETZP-2.32619358; Eh