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_CONF436_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81556945; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF438_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81515062; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF431_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81572204; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF459_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80671375; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF455_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80589095; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF441_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80536308; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF440_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80497846; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF220_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.80612072; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF813_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81532494; Eh | |||
 | 13-Mar-2025 | butafenacil_CONF817_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81533922; Eh |
Results 2211-2220 of 3134 (Search time: 0.002 seconds).
Discover
Calculation type