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.jpeg30-Jan-2019/Gas_Opt/M06_2X/Reactants/Epoxyhexane/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--310.9868374; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Reactants/Iodide/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--11.5129401; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Reactants/Iodide IodideGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--11.4192618474; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/TS_isom/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311G**-1690.474025; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/TS3/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311G**-1690.4719557; Eh
thumbnail.jpeg1-Dec-2017/Extra_Calculations/M06_2X_Tests/TS_M062X TS_M062XGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--2103.15659843; Eh
thumbnail.jpeg1-Dec-2017/Extra_Calculations/M06_2X_Tests/Glycidol GlycidolGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--268.296266125; Eh
thumbnail.jpeg1-Dec-2017/Extra_Calculations/M06_2X_Tests/IC_M062X IC_M062XGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--1838.18388589; Eh
thumbnail.jpeg1-Dec-2017/Extra_Calculations/M06_2X_Tests/Water WaterGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--76.4198168837; Eh
thumbnail.jpeg1-Dec-2017/Extra_Calculations/M06_2X_Tests/CO2 CO2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--188.572151701; Eh
Results 11-20 of 21 (Search time: 0.002 seconds).