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Collection's Items (Sorted by Submit Date in Descending order): 2681 to 2700 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Permethrin_trans_CONF514_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45076461; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF517_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45121592; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF519_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45132467; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF52_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44973428; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF522_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45112289; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF53_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44975914; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44950619; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44685003; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44959965; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44992033; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44975826; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF60_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44995584; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44707907; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF62_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45005013; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF63_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44973784; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF64_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44979325; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF65_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44987868; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF66_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45004919; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF67_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44982339; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44987856; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2681 to 2700 of 6276
