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Collection's Items (Sorted by Submit Date in Descending order): 2601 to 2620 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Permethrin_trans_CONF121_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44995968; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44936497; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF134_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45034777; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF137_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44789622; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF138_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44989841; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45027258; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF140_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45011439; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF141_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45043611; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF145_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44758344; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44995848; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF150_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44817278; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF155_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44762170; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF157_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45006113; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44932778; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF160_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44771461; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF163_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44809248; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF164_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44716980; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF165_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44725633; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF167_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44959793; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44958179; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2601 to 2620 of 6276
