Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | tolylfluanid_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.55002623; Eh | ||
 | tolylfluanid_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.54628047; Eh | ||
 | tolylfluanid_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.54721717; Eh | ||
 | tolylfluanid_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.54722129; Eh | ||
 | tolylfluanid_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.54910774; Eh | ||
 | tolylfluanid_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.54923468; Eh | ||
 | tolylfluanid_CONF25_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.54888597; Eh | ||
 | tolylfluanid_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.54834309; Eh | ||
 | tolylfluanid_CONF33_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.54746544; Eh | ||
 | tolylfluanid_CONF35_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.54874151; Eh | ||
 | tolylfluanid_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.54920811; Eh | ||
 | tolylfluanid_CONF56_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.54733880; Eh | ||
 | tolylfluanid_CONF57_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.54722390; Eh | ||
 | tolylfluanid_CONF65_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.54895530; Eh | ||
 | tolylfluanid_CONF71_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.54716744; Eh | ||
 | tolylfluanid_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.57038515; Eh | ||
 | tolylfluanid_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.56868768; Eh | ||
 | tolylfluanid_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.56900383; Eh | ||
 | tolylfluanid_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.56878804; Eh | ||
 | tolylfluanid_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.56705083; Eh | ||
 | tolylfluanid_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.56891358; Eh | ||
 | tolylfluanid_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.56984670; Eh | ||
 | tolylfluanid_CONF71_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.56687299; Eh | ||
 | tolylfluanid_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.56345474; Eh | ||
 | tolylfluanid_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | - | def2-TZVPP | -2465.56200958; Eh |
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