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Collection's Items (Sorted by Submit Date in Descending order): 41 to 60 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_beta_CONF228_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68663370; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF235_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68665198; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF239_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68675316; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68606332; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF240_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68383657; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF243_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68382149; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF246_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68641115; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF247_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68663065; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF248_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68675629; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF249_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68450846; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68627147; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF256_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68654111; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF258_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68631106; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68545095; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF261_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68442311; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF266_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68441109; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF268_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68444537; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF269_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68684252; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF270_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68711037; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF271_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68681291; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 41 to 60 of 7773
