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.jpeg28-Aug-2024SP_cn_nrsGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-92.9324898; Eh
thumbnail.jpeg28-Aug-2024SP_cnGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311+G(D,P)-92.9561835; Eh
Login required26-Aug-2024geom3_w8_optGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRBP866-31G(D)-611.490001885; Eh
Login required26-Aug-2024geom3_w9_HLTGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P)-688.2525128; Eh
Login required26-Aug-2024geom3_w7_LLTGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-31G(D)-535.0305912; Eh
Login required26-Aug-2024geom3_w9_LLTGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-31G(D)-687.9163853; Eh
thumbnail.jpeg16-Jan-2026/FG_dataset/group3N/ag/111 ag-4bN4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--211.82058977; eV
thumbnail.jpeg2-Oct-2024/Adsorptions CO₂-CoNi-Ce₃SmO₇Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--
thumbnail.jpeg2-Oct-2024/Adsorptions CO-CoNi-Ce₃SmO₇Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--
thumbnail.jpeg2-Oct-2024/Adsorptions CO₂-Sm(subsurf)Ce₂₆O₅₃Morales-Vidal, Jordivasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complexGeometry optimizationDFT--
Results 80031-80040 of 104126 (Search time: 0.048 seconds).

Discover