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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | butafenacil_CONF637_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81446070; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF639_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81339422; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF631_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81521639; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF565_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81546568; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF564_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81562113; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF467_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81523198; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF445_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81461013; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF464_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81629859; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF449_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81442159; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF453_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81403559; Eh |
Results 2711-2720 of 3134 (Search time: 0.002 seconds).
Discover
Calculation type