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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required2-Feb-2017/D5h(271)-C50 D5h(271)-C50F16Moreno Vicente, AntonioADF; 2013; 01Geometry optimizationDFTTZP-18.21033355; Eh
thumbnail.jpeg18-Jul-2021Product_5Moreno Vicente, AntonioADF; 2018Geometry optimizationPBETZP-32.57320374; Eh
thumbnail.jpeg18-Jul-2021/TS2_2a_ TS2_2a__FreqMoreno Vicente, AntonioADF; 2018Single pointPBETZP-
thumbnail.jpeg18-Jul-2021Product_2a_Moreno Vicente, AntonioADF; 2018Geometry optimizationPBETZP-32.58431538; Eh
thumbnail.jpeg18-Jul-2021Intermediate_666_2a_Moreno Vicente, AntonioADF; 2018Geometry optimizationPBETZP-32.54454497; Eh
thumbnail.jpeg18-Jul-2021Lu3N@C80Moreno Vicente, AntonioADF; 2018Geometry optimizationPBETZP-27.07909494; Eh
thumbnail.jpeg18-Jul-2021Addend-2a_Moreno Vicente, AntonioADF; 2018Geometry optimizationPBETZP-5.42179539; Eh
thumbnail.jpeg18-Jul-2021/TS2_2a_ TS2_2a_Moreno Vicente, AntonioADF; 2018Single point QuildPBETZP-
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