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Collection's Items (Sorted by Submit Date in Descending order): 21 to 40 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_beta_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68195071; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68551703; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF201_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68417303; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF202_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68672051; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF203_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68411990; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF205_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68651625; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF207_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68371676; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF208_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68366669; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF209_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68402546; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF210_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68396694; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF214_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68325187; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF217_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68683048; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF218_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68659821; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF219_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68457032; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68601904; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF221_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68685083; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF222_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68700963; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF223_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68363324; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF226_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68686067; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF227_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68321109; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 21 to 40 of 7773
