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Collection's Items (Sorted by Submit Date in Descending order): 2281 to 2300 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Methoxychlor_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.86333348; Eh | |||
 | 24-Mar-2025 | Methoxychlor_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.86334385; Eh | |||
 | 24-Mar-2025 | Methoxychlor_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.85203629; Eh | |||
 | 24-Mar-2025 | Methoxychlor_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.85212625; Eh | |||
 | 24-Mar-2025 | Methoxychlor_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2149.85212209; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42493803; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42411785; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF102_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42511304; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF104_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42508583; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF106_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42232444; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF108_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42546315; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF109_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.41976348; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42186387; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF110_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42474788; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF111_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42476417; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF119_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42206606; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF120_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42397323; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF125_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42480961; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF126_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42154851; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF128_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42495108; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2281 to 2300 of 6276
