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Collection's Items (Sorted by Submit Date in Descending order): 2701 to 2720 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Permethrin_trans_CONF69_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45001923; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44991561; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45022632; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF71_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44775984; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF72_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44767787; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF73_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45016369; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF76_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44977753; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF78_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44945614; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF79_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44974282; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44991984; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF80_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44942717; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF81_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44898646; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF82_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44955912; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF83_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44973135; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF85_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44971482; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF86_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44625379; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF87_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44993793; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF88_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44678112; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44973112; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF90_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44774802; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2701 to 2720 of 6276
