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. |
---|---|---|---|---|---|---|---|---|---|---|---|
11-Oct-2022 | pyriminobac_methyl_Z_CONF34_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1274.91740736; Eh | ||||
25-Apr-2023 | butafenacil_CONF738_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80512660; Eh | ||||
7-Oct-2022 | meptyldinocap_CONF707_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.16220456; Eh | ||||
7-Oct-2022 | ametoctradin_CONF911_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.54386217; Eh | ||||
25-May-2023 | triaziflam_CONF49_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1111.28453309; Eh | ||||
18-Jan-2023 | butachlor_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1328.98767236; Eh | ||||
9-Sep-2022 | propyrisulfuron_CONF199_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2238.50280481; Eh | ||||
21-Dec-2021 | tetraconazole_CONF1147_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2061.41358200; Eh | ||||
25-Apr-2023 | butafenacil_CONF734_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80596084; Eh | ||||
17-Jan-2023 | pretilachlor_CONF206_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1328.99814255; Eh |
Results 233451-233460 of 318743 (Search time: 0.196 seconds).
Discover
Subject
- 2575 Reactivity
- 2491 Atomic property
- 2491 Benchmark
- 2491 Dipole
- 2491 Electronic Population
- 2491 QTAIM
- 2491 Quadrupole
- 2263 Mass spectrometry
- 2118 Peptides
- 2113 Conformation analysis
- next >
Date issued
- 1 2020