1. Barcelona Supercomputing Center

Browsing by Author DeSnoo, William

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Showing results 1 to 8 of 8
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Oct-2022AlleneDeSnoo, WilliamGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-116.5677179; Eh
thumbnail.jpeg24-Oct-2022BiphenylDeSnoo, WilliamGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-462.971914; Eh
thumbnail.jpeg28-Oct-2022C2_HOOHDeSnoo, WilliamGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-151.4121117; Eh
thumbnail.jpeg28-Oct-2022C2h_trans_ethylene_dibromideDeSnoo, WilliamGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-5225.0653527; Eh
thumbnail.jpeg28-Oct-2022C2v_h2oDeSnoo, WilliamGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-76.3573455; Eh
thumbnail.jpeg28-Oct-2022D2_biphenylDeSnoo, WilliamGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-462.9748832; Eh
thumbnail.jpeg28-Oct-2022D2h_BiphenylDeSnoo, WilliamGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-462.9713884; Eh
thumbnail.jpeg24-Oct-2022SpiropentaneDeSnoo, WilliamGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-195.1318289; Eh
Showing results 1 to 8 of 8