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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Mar-2025 | bixlozone_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.77287943; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.76988862; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF38_gas | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.75193518; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.75197042; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.75317733; Eh | |||
 | 14-Mar-2025 | clomazone_CONF3_water | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -1131.3677402; Eh | |||
 | 14-Mar-2025 | clomazone_CONF3_octanol | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -1131.3739253; Eh | |||
 | 14-Mar-2025 | clomazone_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1131.15110806; Eh | |||
 | 14-Mar-2025 | clomazone_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1131.15348592; Eh | |||
 | 14-Mar-2025 | clomazone_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1131.16119340; Eh |
Results 111-120 of 131 (Search time: 0.0 seconds).
Discover
Calculation type