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Collection's Items (Sorted by Submit Date in Descending order): 361 to 380 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65905249; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF204_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66160110; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF205_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66165757; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF208_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66179701; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF209_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65877706; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65886338; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF211_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66184904; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF213_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66207107; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF215_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66133718; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF216_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66181613; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF218_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66183041; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65759594; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF221_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65964052; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF224_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65542063; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF226_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65624728; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65765956; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF230_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66177587; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF236_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65607876; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF239_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66093275; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65990982; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 361 to 380 of 7773
