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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Jul-2018/ADF/ADF_P1/UO2_2NO3_2H2O UO2_2NO3_2H2OPetrus, EnricADF; 2016Geometry optimization TSDFTTZP-
Login required22-Jul-2018/Second_Set/2A 2APetrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
Login required22-Jul-2018/ExcitedState/6S_State 6S_StatePetrus, EnricADF; 2016Geometry optimizationDFTTZP-
Login required22-Jul-2018/ExcitedState/2S_State 2S_StatePetrus, EnricADF; 2016Geometry optimizationDFTTZP-
Login required22-Jul-2018/ADF/ADF_P303/Product ProductPetrus, EnricADF; 2016Single point MinimumDFTTZP-
Login required22-Jul-2018/ExcitedState/10S_State 10S_StatePetrus, EnricADF; 2016Geometry optimizationDFTTZP-
Login required22-Jul-2018/ADF/ADF_P303/Water WaterPetrus, EnricADF; 2016Single point MinimumDFTTZP-
Login required22-Jul-2018/Second_Set/16A 16APetrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
Login required22-Jul-2018/ADF/ADF_P1/Water WaterPetrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
Login required22-Jul-2018/Second_Set/14A 14APetrus, EnricADF; 2016Geometry optimization TSDFTTZP-
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