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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Apr-2019/OO_O/isodesmic_pair/nbo2 nbo2Petrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
thumbnail.jpeg22-Jul-2018/ADF/ADF_P1/Product ProductPetrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
thumbnail.jpeg22-Jul-2018/Second_Set/16A 16APetrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
thumbnail.jpeg22-Jul-2018/Second_Set/2A 2APetrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
thumbnail.jpeg22-Jul-2018/Second_Set/no3_oh_o2 no3_oh_o2Petrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
thumbnail.jpeg22-Jul-2018/ADF/ADF_P1/Py PyPetrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-2.57743863; Eh
thumbnail.jpeg22-Jul-2018/ADF/ADF_P1/Int IntPetrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
thumbnail.jpeg22-Jul-2018/ADF/ADF_P1/Water WaterPetrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
thumbnail.jpeg22-Jul-2018/ADF/ADF_P1/HNO3 HNO3Petrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
thumbnail.jpeg22-Jul-2018/ADF/ADF_P1/NO3 NO3Petrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
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