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.jpeg29-Jul-2024TSB2a_OtherSideGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) SDD GENECP-1305.13237423; Eh
thumbnail.jpeg29-Jul-2024SP_D2bGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1090.2821899; Eh
thumbnail.jpeg29-Jul-2024TSB3aGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) SDD GENECP-1305.15142525; Eh
thumbnail.jpeg16-Mar-2026SP_TSF3ciso_TPSShD3BJGarcía-Padilla, EduardoOrca; 6.1.x; STABLESingle pointDFTdef2-tzvppd; def2/J-1090.28309969137490; Eh
thumbnail.jpeg16-Mar-2026SP_E3c_M06García-Padilla, EduardoOrca; 6.1.x; STABLESingle pointDFTdef2-tzvppd; def2/J-1073.94704614963894; Eh
thumbnail.jpeg29-Jul-2024SP_TSE2_SM15García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1284.2890307; Eh
thumbnail.jpeg29-Jul-2024SP_TSF3disoGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1090.2591913; Eh
thumbnail.jpeg29-Jul-2024SP_P4aGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-708.62565; Eh
thumbnail.jpeg29-Jul-2024TSB6biso_b_2García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) SDD GENECP-1345.24331171; Eh
thumbnail.jpeg29-Jul-2024F3-chairGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) SDD GENECP-1090.06374453; Eh
Results 6361-6370 of 103928 (Search time: 0.006 seconds).

Discover