Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Nov-2020/DPC/re-position CAS_DPC_re-position_TSprim_OHWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-113.0414472; Eh
thumbnail.jpeg2-Nov-2020/DPC/re-position CAS_DPC_re-position_Pprim_OHWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-101.0602341; Eh
thumbnail.jpeg2-Nov-2020/DPC/direct CAS_DPC_direct_P_OHWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-81.2517094; Eh
thumbnail.jpeg2-Nov-2020/DPC/direct CAS_DPC_direct_ESWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBERDUMMY MIXED-267.1498079; Eh
Results 61-64 of 64 (Search time: 0.001 seconds).