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/TS_water ch3och3-oh-ts_6311+Gd180Morán, LucíaGaussian; 16; AM64L-G16RevA.03Single point Structure-6-311+G(D)-230.991759919; Eh
thumbnail.jpeg30-Sep-2021/Water/adducts_water/add_ch3f ch3f-nh2_6311+Gd-scanMorán, LucíaGaussian; 16; AM64L-G16RevA.03Single point Structure-6-311+G(D)-195.823886181; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3cl ch3cl-nhcho_6311+Gd_ch2cl2spMorán, LucíaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D)-669.609282106; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3oh ch3oh-och2ch3_6311+Gd_ch2cl2spMorán, LucíaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D)-270.330403108; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3i ch3i-ncch3_6311+GdspMorán, LucíaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G* GENECP-225.847225300; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3sh ch3sh-nch33_6311+Gd_ch2cl2spMorán, LucíaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D)-613.273670161; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3sh ch3sh-nhcho_6311+Gd_ch2cl2spMorán, LucíaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G(D)-608.196664657; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nh2 ch3nh2-c6h5_6311+Gd_ch2cl21Morán, LucíaGaussian; 16; AM64L-G16RevA.03Single point Structure-6-311+G(D)-327.641533621; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nh2 ch3nh2-cn_6311+Gd_ch2cl22Morán, LucíaGaussian; 16; AM64L-G16RevA.03Single point Structure-6-311+G(D)-188.875528231; Eh
thumbnail.jpeg30-Sep-2021/DCM/adducts_DCM/add_ch3nch33 ch3nch33-i_6311+Gd_ch2cl2-3spMorán, LucíaGaussian; 16; AM64L-G16RevA.03Single point StructureRB3LYP6-311+G* GENECP-
Results 1-10 of 52 (Search time: 0.0 seconds).

Discover

Author
Program name
Method