ioChem-BD Browse module - collection page
G1_insecticides Collection home page
Share - copy and redistribute the material in any medium or format. Adapt - remix, transform, and build upon the material for any purpose, even commercially. The licensor cannot revoke these freedoms as long as you follow the license terms.
Browse
Collection's Items (Sorted by Submit Date in Descending order): 1721 to 1740 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Prothiofos_CONF74_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99268590; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF75_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99261488; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF77_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99330729; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF78_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99229419; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF83_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99278401; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF86_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99309909; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF88_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99049484; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF89_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99256672; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF94_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99270451; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF95_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.98974410; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF99_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2636.99003673; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2637.00877082; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF101_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2637.00927465; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF103_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2637.00803357; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF105_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2637.01087607; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF108_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2637.01112276; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF109_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2637.01211238; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF111_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2637.01076627; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF112_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2637.01166446; Eh | |||
 | 20-Mar-2025 | Prothiofos_CONF113_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2637.01078649; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1721 to 1740 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum