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Collection's Items (Sorted by Submit Date in Descending order): 581 to 600 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68277127; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF59_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68617907; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68626694; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF64_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68571067; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF65_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68606492; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF66_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68574789; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF67_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68631011; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68591462; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF69_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68601457; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68526098; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68655192; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF71_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68394585; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF72_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68606251; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF73_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68632675; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF74_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68285137; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF75_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68405163; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF76_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68649721; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF79_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68649706; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68403239; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF80_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68703095; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 581 to 600 of 7773
