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.jpeg24-Jul-2023small-nd-ipr-dimerVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef2-SV(P); def2-TZVP-4911.967521817; Eh
thumbnail.jpeg24-Jul-2023small-nd-et-tetramerVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef2-TZVP; def2-SV(P)-8880.961790683; Eh
thumbnail.jpeg24-Jul-2023nd-et-dimer-danglingVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef2-TZVP; def2-SV(P)-4441.761012917; Eh
thumbnail.jpeg24-Jul-2023small-nd-et-dimerVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef2-TZVP; def2-SV(P)-4440.454559844; Eh
thumbnail.jpeg24-Jul-2023u-ph-dimerVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization TSU-DFTdef2-TZVP; def2-SV(P); def-TZVP-6101.087968940; Eh
thumbnail.jpeg24-Jul-2023small-nd-ipr-tetramerVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimizationU-DFTdef2-TZVP; def2-SV(P)-9823.912991336; Eh
thumbnail.jpeg24-Jul-2023nd-et-dimerVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef2-TZVP; def2-SV(P)-4441.800115319; Eh
thumbnail.jpeg24-Jul-2023nd-et-monoVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef2-TZVP; def2-SV(P)-2220.885785644; Eh
thumbnail.jpeg24-Jul-2023u-ipr-dimerVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef2-TZVP; def2-SV(P); def-TZVP-4744.463090184; Eh
thumbnail.jpeg24-Jul-2023u-et-dimerVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef2-TZVP; def2-SV(P); def-TZVP-4272.862408691; Eh
Results 1-10 of 38 (Search time: 0.001 seconds).

Discover