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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Dec-2022 | fuberidazole_CONF1_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -608.76557697; Eh | |||
 | 1-Dec-2022 | carbendazim_CONF3_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -663.20237164; Eh | |||
 | 1-Dec-2022 | carbendazim_CONF6_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -663.18890805; Eh | |||
 | 1-Dec-2022 | carbendazim_CONF2_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -663.18497044; Eh | |||
 | 1-Dec-2022 | fuberidazole_CONF3_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -608.75146468; Eh | |||
 | 1-Dec-2022 | benomyl_CONF67_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19893824; Eh | |||
 | 1-Dec-2022 | benomyl_CONF46_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19638488; Eh | |||
 | 1-Dec-2022 | benomyl_CONF42_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19622152; Eh | |||
 | 1-Dec-2022 | benomyl_CONF41_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19863667; Eh | |||
 | 1-Dec-2022 | benomyl_CONF59_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19898851; Eh |
Results 1-10 of 230 (Search time: 0.001 seconds).
Discover
Calculation type
- 230 Single point