Browsing by Author Petrus, Enric

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required8-Apr-20200e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
Login required8-Apr-20200e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
Login required8-Apr-202012e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
Login required8-Apr-202012e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
Login required8-Apr-202018e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
Login required8-Apr-202018e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
Login required17-Dec-20191_u2o4_2pyPetrus, EnricADF; 2016Geometry optimizationPBETZP-
thumbnail.jpeg3-May-20201_u2o4_o2Petrus, EnricADF; 2016Geometry optimizationPBETZP-
Login required8-Apr-20201e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
Login required17-Dec-20191ts_h2Petrus, EnricADF; 2016Transition statePBETZP-
thumbnail.jpeg3-May-20201ts_h2Petrus, EnricADF; 2016Transition statePBETZP-
Login required17-Dec-20191ts_h2_waPetrus, EnricADF; 2016Single pointPBETZP-
thumbnail.jpeg3-May-20201ts_h2_waPetrus, EnricADF; 2016Single pointPBETZP-
Login required8-Apr-202024e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
Login required8-Apr-202024e_reducedPetrus, EnricADF; 2019Single pointOPBETZP-
Login required17-Dec-20193_u2o2oh2_4pyPetrus, EnricADF; 2016Geometry optimizationPBETZP-
thumbnail.jpeg3-May-20203_u2o2oh2_4pyPetrus, EnricADF; 2016Geometry optimizationPBETZP-
thumbnail.jpeg3-May-20203_u2o3oh_4pyPetrus, EnricADF; 2016Geometry optimizationPBETZP-
Login required17-Dec-20193_u2o4_2pyPetrus, EnricADF; 2016Geometry optimizationPBETZP-
thumbnail.jpeg3-May-20203_u2o4_2pyPetrus, EnricADF; 2016Geometry optimizationPBETZP-