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-2024pyrrole_ethynyl_HLT_m062x_ccpvtzGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRM062XCC-PVTZ-1549.9557208; Eh
Login required26-Aug-2024pyrrole_HLT_6311Gdp_m062xGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRM062X6-311G(D,P)-1150.2501027; Eh
Login required26-Aug-2024pyrrole_HLT_b3lyp_6311GdpGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P)-1150.7158846; Eh
Login required26-Aug-2024pyrrole_ethynyl_optGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRBP866-31G(D)-1550.18352825; Eh
Login required26-Aug-2024pyrrole_HLT_m062x_ccpvtzGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRM062XCC-PVTZ-1150.3654108; Eh
Login required26-Aug-2024partialdiimine_nox_HLT_B3LYP_631GdGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P)-2664.6004853; Eh
Login required26-Aug-2024partialdiimine_ACN_HLT_B3LYP_6311GdpGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P)-2473.8111573; Eh
Login required26-Aug-2024partialdiimine_HLT_B3LYP_6311GdpGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P)-2340.9789519; Eh
Login required26-Aug-2024partialdiimine_ACN_HLT_nodispGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P)-2473.4627894; Eh
Login required26-Aug-2024partialdiimine_ACN_opt_631GdGarcía-Padilla, EduardoGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRBP866-31G(D)-2473.17756153; Eh
Results 49231-49240 of 104124 (Search time: 0.031 seconds).

Discover