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Collection's Items (Sorted by Submit Date in Descending order): 661 to 680 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF46_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67248828; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF47_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67272804; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF48_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66992013; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF49_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67258051; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67180744; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF50_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67259334; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF51_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67266346; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF54_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66930854; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF56_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67257441; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF57_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67244987; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF58_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66920684; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF59_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67260758; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67236931; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF60_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67260234; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF62_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67256106; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF64_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67206583; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF65_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67237800; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF66_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67200255; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF67_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67266599; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF68_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67211185; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 661 to 680 of 7773
