Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required1-Feb-2019gaussian01Lledó, AgustíGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYP--
thumbnail.jpeg25-Oct-2023/PathA TSA5A6Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM06CC-PVDZ-3601.17095265; Eh
thumbnail.jpeg25-Oct-2023/PathA A7Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM06CC-PVDZ-3714.47109085; Eh
thumbnail.jpeg25-Oct-2023/HFIPP HFIPPLledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM06CC-PVDZ-2708.32362056; Eh
thumbnail.jpeg25-Oct-2023/HFIPP A4Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM06CC-PVDZ-6082.94434623; Eh
thumbnail.jpeg25-Oct-2023/PathA TSA7A8Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM06CC-PVDZ-3714.45945011; Eh
thumbnail.jpeg25-Oct-2023/PathA A6Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM06CC-PVDZ-3601.18156990; Eh
thumbnail.jpeg25-Oct-2023/PathA TSA3A4Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM06CC-PVDZ-3487.85447890; Eh
thumbnail.jpeg25-Oct-2023/PathA A2Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM06CC-PVDZ-3409.32724192; Eh
thumbnail.jpeg25-Oct-2023/PathA A1Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM06CC-PVDZ-3522.63728807; Eh
Results 1-10 of 45 (Search time: 0.001 seconds).