- previous
- 1
- next
Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | ioxynil_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -994.10192408; Eh | ||
 | ioxynil_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -994.11515619; Eh | ||
 | ioxynil_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -994.11627164; Eh | ||
 | ioxynil_CONF1_gas | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | RB3LYP; TD-FC | 6-311+G(D,P) LANL2DZ 6-311+G(3DF,2P) GEN | -421.4224742; Eh | ||
 | ioxynil_CONF1_octanol | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | RB3LYP; TD-FC | 6-311+G(D,P) LANL2DZ 6-311+G(3DF,2P) GEN | -421.4356177; Eh | ||
 | ioxynil_CONF1_water | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | RB3LYP; TD-FC | 6-311+G(D,P) LANL2DZ 6-311+G(3DF,2P) GEN | -421.4375306; Eh |
Results 1-6 of 6 (Search time: 0.105 seconds).
Discover
Calculation type
Institution