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.
Login required26-Aug-2024geom49_ae_AGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRBP866-31G-6741.4147945; Eh
Login required11-Sep-2024TS(IIIe-IVe)Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPSDD 6-31G(D,P) GENECP-1473.32806200; Eh
Login required11-Sep-2024TS(IIIe-Ve)Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPSDD 6-31G(D,P) GENECP-1473.32613408; Eh
Login required26-Aug-2024geom22_nox_w11_nodisp_HLTGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P)-1164.7216315; Eh
Login required26-Aug-2024geom48_partialdiimine_w3_LLTGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-31G(D)-2569.7320985; Eh
Login required26-Aug-2024geom142_nox_w7_LLTGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-31G(D)-858.5191291; Eh
Login required26-Aug-2024geom142_nox_w8_LLTGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-31G(D)-934.9586186; Eh
Login required26-Aug-2024geom22_nox_w11_LLTGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-31G(D)-1164.2926969; Eh
Login required26-Aug-2024geom48_nox_w9_LLTGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-31G(D)-1011.4079577; Eh
thumbnail.jpeg16-Jan-2026/FG_dataset/group3N/ag/111 ag-37N3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--186.61556100; eV
Results 79891-79900 of 104126 (Search time: 0.058 seconds).

Discover