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/M06_calculations bh_c5Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G**-1470.49672779; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_TS_c3_c4Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G**-1816.63902692; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_int2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G**-615.295723485; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_c2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G**-1816.18271037; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_HOAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G**-229.041449914; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_c5_O2_TFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-311++G**-1620.80162076; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations TS-3-OAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1737.98290065; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c6-OAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1851.00326084; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c6-yneFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1930.78657929; Eh
thumbnail.jpeg13-Jul-2018/M06_calculations bh_c4_OAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-311++G**-1699.55852214; Eh
Results 11-20 of 94 (Search time: 0.001 seconds).