Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-Sep-2021 | /DCM/adducts_DCM/add_ch3och3 ch3och3-nch33_6311+Gd_ch2cl2sp | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | 6-311+G(D) | -329.608659209; Eh | ||||
30-Sep-2021 | /DCM/adducts_DCM/add_ch3och3 ch3och3-oTs_6311+Gd_ch2cl2-2sp | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | 6-311+G(D) | -1050.18470078; Eh | ||||
30-Sep-2021 | /DCM/adducts_DCM/add_ch3cn ch3cn-nh2_6311+Gd_ch2cl2sp | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | 6-311+G(D) | -188.834439378; Eh | ||||
30-Sep-2021 | /DCM/adducts_DCM/add_ch3cn ch3cn-och2ch3_6311+Gd_ch2cl2sp | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | 6-311+G(D) | -287.375843979; Eh | ||||
30-Sep-2021 | /DCM/adducts_DCM/add_ch3nch33 ch3nch33-sch3_6311+Gd_ch2cl2-3sp | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | 6-311+G(D) | -652.579136893; Eh | ||||
30-Sep-2021 | /DCM/adducts_DCM/add_ch3nh2 ch3nh2-c6h5_6311+Gd_ch2cl21 | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | - | 6-311+G(D) | -327.641533621; Eh | ||||
30-Sep-2021 | /DCM/adducts_DCM/add_ch3nh2 ch3nh2-nhcho_6311+Gd_ch2cl2-1sp | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | 6-311+G(D) | -265.345435264; Eh | ||||
30-Sep-2021 | /DCM/adducts_DCM/add_ch3nh2 ch3nh2-cn_6311+Gd_ch2cl22 | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | - | 6-311+G(D) | -188.875528231; Eh | ||||
30-Sep-2021 | /DCM/adducts_DCM/add_ch3nch33 ch3nch33-i_6311+Gd_ch2cl2-3sp | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | 6-311+G* GENECP | - | ||||
30-Sep-2021 | /DCM/adducts_DCM/add_ch3nh2 ch3nh2-ph2_6311+Gd_ch2cl22 | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | - | 6-311+G(D) | -438.554922336; Eh |
Results 11-20 of 388 (Search time: 0.002 seconds).
Discover
Subject
Program name
- 388 Gaussian