1. Institute of Chemical Research of Catalonia

Search        

Start a new search
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-May-2026/MXene_paper/Ti3C2O2_calculations/convex_hull_o_coverage/2/Pd/NoH NoHGeorge, Gibuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--512.30743150; eV
thumbnail.jpeg14-May-2026/MXene_paper/Ti3C2O2_calculations/convex_hull_o_coverage/2/Ru/NoH NoHGeorge, Gibuvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--516.13237335; eV
thumbnail.jpeg17-Jul-202516a__m06Li, YingziGaussian; 16; ES64L-G16RevA.03Single point StructureRM066-311+G(D,P)-1579.0180661; Eh
thumbnail.jpeg17-Jul-202516a_m06Li, YingziGaussian; 16; ES64L-G16RevA.03Single point StructureRM066-311+G(D,P)-1579.4805906; Eh
thumbnail.jpeg17-Jul-2025TS3_m06Li, YingziGaussian; 16; ES64L-G16RevA.03Single point StructureUM06GENECP-6507.8197964; Eh
thumbnail.jpeg17-Jul-2025TS5_m06Li, YingziGaussian; 16; ES64L-G16RevA.03Single point StructureUM06GENECP-6507.8210589; Eh
thumbnail.jpeg17-Jul-2025TS2_m06Li, YingziGaussian; 16; ES64L-G16RevA.03Single point StructureUM06GENECP-6507.7987324; Eh
thumbnail.jpeg17-Jul-2025TS1_m06Li, YingziGaussian; 16; ES64L-G16RevA.03Single point StructureUM06GENECP-3702.2427154; Eh
thumbnail.jpeg17-Jul-2025TS4_m06Li, YingziGaussian; 16; ES64L-G16RevA.03Single point StructureRM06GENECP-5117.4754458; Eh
thumbnail.jpeg17-Jul-202521a__m06Li, YingziGaussian; 16; ES64L-G16RevA.03Single point StructureRM066-311+G(D,P)-1621.8679259; Eh
Results 12721-12730 of 12948 (Search time: 0.009 seconds).

Discover