Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | dichlofluanid_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22889529; Eh | ||
 | dichlofluanid_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22511980; Eh | ||
 | dichlofluanid_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22696153; Eh | ||
 | dichlofluanid_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22642637; Eh | ||
 | dichlofluanid_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22493623; Eh | ||
 | dichlofluanid_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22756895; Eh | ||
 | dichlofluanid_CONF34_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22790314; Eh | ||
 | dichlofluanid_CONF35_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22641279; Eh | ||
 | dichlofluanid_CONF37_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22661574; Eh | ||
 | dichlofluanid_CONF38_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22791640; Eh | ||
 | dichlofluanid_CONF39_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22612439; Eh | ||
 | dichlofluanid_CONF40_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22704195; Eh | ||
 | dichlofluanid_CONF42_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22516195; Eh | ||
 | dichlofluanid_CONF43_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22505828; Eh | ||
 | dichlofluanid_CONF45_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22753141; Eh | ||
 | dichlofluanid_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22843525; Eh | ||
 | dichlofluanid_CONF51_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22737512; Eh | ||
 | dichlofluanid_CONF63_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22567671; Eh | ||
 | dichlofluanid_CONF64_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22586821; Eh | ||
 | dichlofluanid_CONF82_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.22770101; Eh | ||
 | dichlofluanid_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.24859122; Eh | ||
 | dichlofluanid_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.24589652; Eh | ||
 | dichlofluanid_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.24707041; Eh | ||
 | dichlofluanid_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.24543135; Eh | ||
 | dichlofluanid_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2426.24690775; Eh |
Results 1-25 of 52 (Search time: 0.004 seconds).
Discover
Basis
Calculation type
Institution