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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-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
thumbnail.jpeg24-Jul-2023u-et-monoVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef2-TZVP; def2-SV(P); def-TZVP-2136.414856388; Eh
thumbnail.jpeg24-Jul-2023nd-tbut-monoVlaisavljevich, BessTURBOMOLE; 7.3Geometry optimization MinimumU-DFTdef2-TZVP; def2-SV(P)-2692.467610036; Eh
Results 21-30 of 55 (Search time: 0.001 seconds).