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-2024TSE7N-goldlessGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) GEN-477.331043019; Eh
thumbnail.jpeg29-Jul-2024SP_E11-goldlessGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) GEN-288.8585538; Eh
thumbnail.jpeg29-Jul-2024TSE11García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-31G(D) SDD GENECP-1114.18517699; Eh
thumbnail.jpeg16-Mar-2026SP_A1_B3LYPD3BJGarcía-Padilla, EduardoOrca; 6.1.x; STABLESingle pointDFTdef2-tzvppd; def2/J-944.30625798745587; Eh
thumbnail.jpeg29-Jul-2024SP_TSB10biso-PhGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1116.7939074; Eh
thumbnail.jpeg29-Jul-2024SP_TSF4aGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1090.3119327; Eh
thumbnail.jpeg29-Jul-2024SP_TSE5García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1074.2985089; Eh
thumbnail.jpeg29-Jul-2024SP_E2_SM15bGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1284.3217463; Eh
thumbnail.jpeg29-Jul-2024SP_B10bisoGarcía-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1345.5812004; Eh
thumbnail.jpeg29-Jul-2024SP_E2_SM10García-Padilla, EduardoGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311+G(D,P) SDD GENECP-1001.280574; Eh
Results 6831-6840 of 103529 (Search time: 0.006 seconds).

Discover