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Collection's Items (Sorted by Submit Date in Descending order): 941 to 960 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_zeta_CONF297_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68504813; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF298_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68454829; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF299_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68435370; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68372226; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68511194; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF300_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68484943; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68534490; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF310_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68417036; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF312_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68459540; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF314_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68429078; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF316_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68419217; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF317_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68438592; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF319_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68435992; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68604921; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF322_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68400631; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF324_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68382688; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF325_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68459830; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF326_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68458586; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68644882; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF342_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68464669; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 941 to 960 of 7773
