1. Barcelona Supercomputing Center

Browsing by Author Penas, Francesc

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Showing results 1 to 20 of 33  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required6-Nov-2023co2Penas, FrancescGaussian; 16; EM64W-G16RevC.01Single point Minimum-6-31G(D,P)-188.582581112; Eh
Login required6-Nov-2023h2Penas, FrancescGaussian; 16; EM64W-G16RevC.01Single point Minimum-6-31G(D,P)-1.17853935735; Eh
thumbnail.jpeg9-Oct-2023H2Ni4(0e)Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) GEN-7854.64661356; Eh
thumbnail.jpeg9-Oct-2023H2Ni4(1e)Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization StructureUwB97XDLANL2DZ 6-31G(D,P) GEN-7854.72136130; Eh
thumbnail.jpeg9-Oct-2023H2Ni4(2e)Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) GEN-7854.83994669; Eh
thumbnail.jpeg9-Oct-2023H2Ni4(3e)Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization StructureUwB97XDLANL2DZ 6-31G(D,P) GEN-7854.91278931; Eh
Login required6-Nov-2023h2oPenas, FrancescGaussian; 16; AS64L-G16RevC.02Geometry optimization MinimumRB3LYP6-31G(D,P) GEN-76.4187335838; Eh
thumbnail.jpeg9-Oct-2023H3Ni(1e)Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) GEN-7855.20715928; Eh
thumbnail.jpeg9-Oct-2023H3Ni4(0e)Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) GEN-7855.11509186; Eh
thumbnail.jpeg9-Oct-2023H3Ni4(2e)Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) GEN-7855.33970453; Eh
thumbnail.jpeg9-Oct-2023H3Ni4(3e)Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) GEN-7855.41719405; Eh
thumbnail.jpeg9-Oct-2023H4Ni4(2e)Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) GEN-7855.82806177; Eh
thumbnail.jpeg9-Oct-2023H4Ni4(3e)Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) GEN-7855.92493101; Eh
thumbnail.jpeg9-Oct-2023HNi4(0e)Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) GEN-7854.16299176; Eh
thumbnail.jpeg9-Oct-2023HNi4(1e)Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) GEN-7854.25390516; Eh
thumbnail.jpeg9-Oct-2023HTEOAPenas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XDGEN-518.398869425; Eh
thumbnail.jpeg9-Oct-2023Ni4(0e)Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) GEN-7853.67551210; Eh
thumbnail.jpeg9-Oct-2023Ni4(1e)Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) GEN-7853.75034660; Eh
thumbnail.jpeg9-Oct-2023Ni4(2e)Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumUwB97XDLANL2DZ 6-31G(D,P) GEN-7853.82067940; Eh
thumbnail.jpeg9-Oct-2023RuIIbpy3Penas, FrancescGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GEN-1579.46354227; Eh
Showing results 1 to 20 of 33  next >