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Collection's Items (Sorted by Submit Date in Descending order): 61 to 80 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_beta_CONF274_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68432653; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF278_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68453665; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68668665; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF280_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68409073; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF282_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68463305; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF283_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68683768; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF287_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68684789; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68656449; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF290_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68636987; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF291_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68276897; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF292_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68676981; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF293_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68654723; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF294_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68658781; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF295_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68677283; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68544242; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68559289; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF300_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68274665; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF306_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68651226; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF307_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68655149; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF308_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68282741; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 61 to 80 of 7773
