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Collection's Items (Sorted by Submit Date in Descending order): 1121 to 1140 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenpropimorph_CONF37_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07511665; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07163089; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF40_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07590646; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF47_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07597915; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF48_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07485126; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07152098; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07121616; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF73_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07523812; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07192399; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF85_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07558151; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF90_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07525623; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF91_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07512607; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF92_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07513374; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF94_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -912.07510705; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09057591; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF102_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09438607; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF106_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09425703; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF108_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09412146; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09098642; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.09087303; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1121 to 1140 of 6872
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