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.jpeg23-Jan-2018/in_toluene PdPPh3Besora, MariaGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31+g**; SDD-1163.22777196; Eh
thumbnail.jpeg23-Jan-2018/in_vacuum Pd(PR3)Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31+g**; SDD-1163.20734240; Eh
thumbnail.jpeg23-Jan-2018/in_toluene PR3Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31+g**-1035.28885760; Eh
thumbnail.jpeg23-Jan-2018/in_toluene TolueneBesora, MariaGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-31+g**-271.225658512; Eh
Results 51-54 of 54 (Search time: 0.002 seconds).