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Collection's Items (Sorted by Submit Date in Descending order): 1041 to 1060 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenpropidin_CONF63_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.53001314; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.52632388; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF79_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.53024821; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF86_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.52857411; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF88_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.52876025; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF89_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -797.52877124; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54218721; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54328349; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54324081; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54166362; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54164935; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54600176; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54573812; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54594920; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54256022; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54721122; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54777583; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54559666; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54703883; Eh | |||
 | 28-Mar-2025 | fenpropidin_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -797.54536037; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1041 to 1060 of 6872
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