Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_sch2ch3 ch3sch2ch3-nhcho_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3cn ch3cn-och2ch3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-287.402536250; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3cn ch3cn-oTs_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-1027.93441126; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3cn ch3cn-br_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G* GENECP-146.150107759; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3cn ch3cn-i_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G* GENECP-144.381141042; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3cn ch3cn-sh_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-531.754411871; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-ooh-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-342.014954987; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_sch2ch3 ch3sch2ch3-nh2_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3c6h5-cf3-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-609.364991159; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3cn ch3cn-nh2_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-
Results 1711-1720 of 1882 (Search time: 0.002 seconds).