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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Jul-2018/ExcitedState/5S_State 5S_StatePetrus, EnricADF; 2016Geometry optimizationDFTTZP-
thumbnail.jpeg22-Jul-2018/Second_Set/14A 14APetrus, EnricADF; 2016Geometry optimization TSDFTTZP-
thumbnail.jpeg22-Jul-2018/Second_Set/16A 16APetrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
thumbnail.jpeg22-Jul-2018/Second_Set/2no3_oh 2no3_ohPetrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
thumbnail.jpeg22-Jul-2018/Second_Set/2o2_no3 2o2_no3Petrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
thumbnail.jpeg22-Jul-2018/Second_Set/2A 2APetrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
thumbnail.jpeg22-Jul-2018/Second_Set/18A 18APetrus, EnricADF; 2016Geometry optimization TSDFTTZP-
thumbnail.jpeg22-Jul-2018/Second_Set/3no3 3no3Petrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
thumbnail.jpeg22-Jul-2018/Second_Set/8B 8BPetrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
thumbnail.jpeg22-Jul-2018/Second_Set/8A 8APetrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
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