Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Jul-2018/ExcitedState/5S_State 5S_StatePetrus, EnricADF; 2016Geometry optimizationDFTTZP-
Login required22-Jul-2018/ADF/ADF_P1/UO2_OH_NO3_H2O UO2_OH_NO3_H2OPetrus, EnricADF; 2016Single point TSDFTTZP-
Login required22-Jul-2018/ADF/ADF_P303/UO2_NO3_2H2O UO2_NO3_2H2OPetrus, EnricADF; 2016Single point TSDFTTZP-
Login required22-Jul-2018/ExcitedState/6S_State 6S_StatePetrus, EnricADF; 2016Geometry optimizationDFTTZP-
Login required22-Jul-2018/Second_Set/2no3_oh 2no3_ohPetrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
Login required22-Jul-2018/ADF/ADF_P303/Py PyPetrus, EnricADF; 2016Single point MinimumDFTTZP-
Login required22-Jul-2018/ADF/ADF_P303/NO3 NO3Petrus, EnricADF; 2016Single point MinimumDFTTZP-
Login required22-Jul-2018/Second_Set/3no3 3no3Petrus, EnricADF; 2016Geometry optimization MinimumDFTTZP-
Login required22-Jul-2018/Second_Set/18A 18APetrus, EnricADF; 2016Geometry optimization TSDFTTZP-
Login required22-Jul-2018/ExcitedState/1T_State 1T_StatePetrus, EnricADF; 2016Geometry optimizationDFTTZP-3.84886214; Eh
Results 1-10 of 212 (Search time: 0.001 seconds).