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Collection's Items (Sorted by Submit Date in Descending order): 1201 to 1220 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenpropimorph_CONF73_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08270877; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF75_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08265832; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF76_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08233612; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF77_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08270616; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF78_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08074950; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF79_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08113152; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.07663301; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF82_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08120993; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF85_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08308070; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF86_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08235039; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF88_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08283845; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF90_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08211046; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF91_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08232014; Eh | |||
 | 28-Mar-2025 | fenpropimorph_CONF92_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -912.08245484; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43861707; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43852395; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43766110; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43750060; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43701010; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1373.43734129; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1201 to 1220 of 6872
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