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.jpeg13-Jul-2018/B3LYPD3_calculations TS-c6-O2-S-H-c6Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1850.99515630; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations TS-1-ClFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1969.68042250; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations MECPFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1621.75006122; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations 3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1509.30203560; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations TS-c3-c4Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1817.77678372; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations TS-4-c2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1817.29871340; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c8-OAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2007.89457347; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c6Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1622.27265526; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c10Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1471.84615333; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations TS-c1-4Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1817.78622863; Eh
Results 1-10 of 247 (Search time: 0.0 seconds).