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Collection's Items (Sorted by Submit Date in Descending order): 141 to 160 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_beta_CONF80_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68607365; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF81_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68603930; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF82_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68593516; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF84_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68329761; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF90_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68398957; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF91_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68497394; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF92_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68583414; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF94_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68227271; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF95_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68494650; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF96_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68558559; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF97_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68305505; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66815235; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67255973; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF101_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67283958; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF102_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67306823; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF105_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67262412; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF109_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67302974; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67265118; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF113_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67276337; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF116_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67309054; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 141 to 160 of 7773
