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Collection's Items (Sorted by Submit Date in Descending order): 341 to 360 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF150_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66215620; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF154_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65884587; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF155_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65887089; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65820874; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF162_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65855907; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF163_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66204826; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF169_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65960492; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65830673; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF172_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65939389; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF174_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66208721; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF175_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65728722; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF176_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66145741; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF180_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66181916; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF184_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65647381; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF186_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65674959; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF187_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65803885; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF189_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66115369; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF196_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66150009; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF198_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.66150746; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65627581; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 341 to 360 of 7773
