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-och3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-632.661201234; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3sch3 ch3sch3-oTs_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-1373.19633501; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3sch3 ch3sch3-sch2ch3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-955.649870096; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_sch2ch3 ch3sch2ch3-oh_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-593.360439179; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_sch2ch3 ch3sch2ch3-f_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-617.417698883; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_sch2ch3 ch3sch2ch3-cn_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-610.379227405; Eh
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
Results 1681-1690 of 1857 (Search time: 0.002 seconds).