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Collection's Items (Sorted by Submit Date in Descending order): 1001 to 1020 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_zeta_CONF64_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68629545; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF65_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68636670; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF66_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68613310; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF67_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68405874; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68401085; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF69_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68603752; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68558480; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68343877; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF72_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68619220; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF74_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68288265; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF75_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68284333; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF76_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68652213; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF77_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68266606; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF79_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68668213; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68411582; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF81_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68698212; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF82_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68714496; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF85_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68662372; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF87_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68716622; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68288624; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1001 to 1020 of 7773
