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Collection's Items (Sorted by Submit Date in Descending order): 1261 to 1280 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenpyrazamine_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46241038; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46428925; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46162974; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46365808; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46385441; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF80_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46065326; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46361856; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF96_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46100443; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45530676; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF107_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45282510; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF127_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45202976; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF134_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45157825; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF135_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45148388; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45496781; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45550910; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45581754; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF22_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45470136; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45464522; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45439502; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF31_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45478496; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1261 to 1280 of 6872
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