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Collection's Items (Sorted by Submit Date in Descending order): 861 to 880 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_zeta_CONF113_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68241497; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF114_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68479611; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68257892; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF121_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68624408; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF123_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68383212; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF124_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68595770; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF125_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68577469; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF126_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68227937; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF127_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68246194; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF128_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68681986; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF129_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68218037; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68370959; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF131_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68629447; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF132_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68675957; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF133_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68147088; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF134_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68706888; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF136_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68684766; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF138_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68628840; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF139_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68679259; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68442030; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 861 to 880 of 7773
