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Browsing by Author von Wolff, Niklas

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Showing results 41 to 60 of 636 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Nov-2021C05von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-TZVPP/C-1978.18370099; Eh
thumbnail.jpeg17-Nov-2021C05von Wolff, NiklasGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-1977.21667736; Eh
thumbnail.jpeg17-Nov-2021C06von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-TZVPP/C-1865.05402547; Eh
thumbnail.jpeg17-Nov-2021C06von Wolff, NiklasGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-1864.20182888; Eh
thumbnail.jpeg17-Nov-2021C07von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-TZVPP/C-4014.38476187; Eh
thumbnail.jpeg17-Nov-2021C07von Wolff, NiklasGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-4013.15544513; Eh
thumbnail.jpeg17-Nov-2021C08von Wolff, NiklasGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-2585.40801305; Eh
thumbnail.jpeg17-Nov-2021C08von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-TZVPP/C-2586.98345579; Eh
thumbnail.jpeg17-Nov-2021C09von Wolff, NiklasGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-1577.58855699; Eh
thumbnail.jpeg17-Nov-2021C09von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-TZVPP/C-1578.49136774; Eh
thumbnail.jpeg17-Nov-2021C10von Wolff, NiklasGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-3082.96779917; Eh
thumbnail.jpeg17-Nov-2021C10von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-TZVPP/C-3084.45813552; Eh
thumbnail.jpeg17-Nov-2021C11von Wolff, NiklasGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-2486.99453848; Eh
thumbnail.jpeg17-Nov-2021C11von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-TZVPP/C-2488.18151943; Eh
thumbnail.jpeg17-Nov-2021C12von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-TZVPP/C-2679.93317891; Eh
thumbnail.jpeg17-Nov-2021C12von Wolff, NiklasGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-2678.57886672; Eh
thumbnail.jpeg17-Nov-2021C13von Wolff, NiklasGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-2892.59668182; Eh
thumbnail.jpeg17-Nov-2021C13von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-TZVPP/C-2893.91573754; Eh
thumbnail.jpeg17-Nov-2021C14von Wolff, NiklasGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-3217.79909064; Eh
thumbnail.jpeg17-Nov-2021C14von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-TZVPP/C-3219.12207688; Eh
Showing results 41 to 60 of 636 < previous   next >