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.jpeg9-Dec-2021ch3cooch3_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-268.478302679; Eh
thumbnail.jpeg9-Dec-2021ch3cooh_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-229.141817181; Eh
thumbnail.jpeg9-Dec-2021ch3coo_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-228.714695141; Eh
thumbnail.jpeg9-Dec-2021ch3nh3_6311+Gd_aqMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-96.3590145011; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3oTs ch3Ts-oh_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-1010.83698200; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3sh ch3sh-cn_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-531.728920464; Eh
thumbnail.jpeg30-Sep-2021/Water/ch3-EG_LG_water ch3cf3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-377.687211014; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3nh2 ch3nh2-och2ch3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-250.495739362; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3sh ch3sh-cf3_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G(D)-776.574576633; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3sh ch3sh-br_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311+G* GENECP-452.085375600; Eh
Results 2261-2270 of 2868 (Search time: 0.005 seconds).