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Browsing by Author von Wolff, Niklas

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Showing results 1 to 20 of 602  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required26-Mar-20241von Wolff, NiklasGaussian; 16; AM64L-G16RevC.01Geometry optimization MinimumRB97DDEF2TZVP DEF2TZVP/W06-12212.5299131; Eh
thumbnail.jpeg19-Nov-202017von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRM06LDEF2TZVP DEF2TZVP/W06-1518.97020041; Eh
thumbnail.jpeg19-Nov-202017von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1518.50483480; Eh
thumbnail.jpeg19-Nov-202018von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRM06LDEF2TZVP DEF2TZVP/W06-1405.82146168; Eh
thumbnail.jpeg19-Nov-202018von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1405.35304986; Eh
Login required26-Mar-20241Fevon Wolff, NiklasGaussian; 16; AM64L-G16RevC.01Geometry optimization MinimumRB97DDEF2TZVP DEF2TZVP/W06-13475.8442226; Eh
Login required26-Mar-20242von Wolff, NiklasGaussian; 16; AM64L-G16RevC.01Geometry optimization MinimumRB97DDEF2TZVP DEF2TZVP/W06-12609.4621786; Eh
Login required26-Mar-20242Fevon Wolff, NiklasGaussian; 16; AM64L-G16RevC.01Geometry optimization MinimumRB97DDEF2TZVP DEF2TZVP/W06-13872.7787401; Eh
Login required26-Mar-20244von Wolff, NiklasGaussian; 16; AM64L-G16RevC.01Geometry optimization MinimumRB97DDEF2SVP DEF2SVP/W06-13555.7643898; Eh
Login required26-Mar-20244Fevon Wolff, NiklasGaussian; 16; AM64L-G16RevC.01Geometry optimization MinimumRB97DDEF2TZVP DEF2TZVP/W06-14823.9320639; Eh
thumbnail.jpeg17-Nov-2021C01von Wolff, NiklasGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-2489.80683223; Eh
thumbnail.jpeg17-Nov-2021C01von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-TZVPP/C-2491.05950527; Eh
thumbnail.jpeg17-Nov-2021C02von Wolff, NiklasGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-3275.74930820; Eh
thumbnail.jpeg17-Nov-2021C02von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-TZVPP/C-3277.39124198; Eh
thumbnail.jpeg17-Nov-2021C03von Wolff, NiklasGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-2150.76781680; Eh
thumbnail.jpeg17-Nov-2021C03von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-TZVPP/C-2151.67134083; Eh
thumbnail.jpeg17-Nov-2021C04von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-TZVPP/C-1865.03702767; Eh
thumbnail.jpeg17-Nov-2021C04von Wolff, NiklasGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRM06LDEF2SVP DEF2SVP/W06-1864.18605547; Eh
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
Showing results 1 to 20 of 602  next >