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Collection's Items (Sorted by Submit Date in Descending order): 961 to 980 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_zeta_CONF343_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68467343; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF344_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68463667; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF348_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68358826; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF349_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68509554; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68279309; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF350_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68426409; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF351_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68538369; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF358_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68436677; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF359_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68428129; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68268838; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF360_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68439164; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF369_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68497289; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68299890; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF375_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68520829; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68598680; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68279808; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68017375; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68459734; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68473192; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68634508; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 961 to 980 of 7773
