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.jpeg16-Mar-2026SP_B11biso-goldless_M06D4García-Padilla, EduardoOrca; 6.1.x; STABLESingle pointDFTdef2-tzvppd; def2/J-519.62833826859446; Eh
thumbnail.jpeg29-Jul-2024SP_TSF3a-chairGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1090.2628771; Eh
thumbnail.jpeg29-Jul-2024SP_TSE2bisoGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1074.2868331; Eh
thumbnail.jpeg29-Jul-2024SP_TSA2bGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1321.3923294; Eh
thumbnail.jpeg29-Jul-2024SP_Int2_SM8García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1177.2180408; Eh
thumbnail.jpeg29-Jul-2024Int2_SM11García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) SDD GENECP-1284.31858944; Eh
thumbnail.jpeg29-Jul-2024SP_E11-goldfulGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-885.7458337; Eh
thumbnail.jpeg29-Jul-2024SP_B11biso-goldlessGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-519.9856325; Eh
thumbnail.jpeg29-Jul-2024TSD2bGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) SDD GENECP-1090.05319653; Eh
thumbnail.jpeg16-Mar-2026DLPNO-CCSDparT_TSF3b-chairGarcía-Padilla, EduardoOrca; 6.1.x; STABLESingle pointdlpno-ccsd(t)def2-tzvppd; def2-tzvppd/C; def2/J-1084.85871855713526; Eh
Results 6751-6760 of 104124 (Search time: 0.006 seconds).

Discover