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Collection's Items (Sorted by Submit Date in Descending order): 1241 to 1260 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | fenpyrazamine_CONF110_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46027452; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF130_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46021505; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF134_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.45922687; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46329406; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46444510; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46360370; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46245986; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46280204; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46322325; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46276320; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46291589; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46285174; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46280076; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46266061; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46168012; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46305807; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46440834; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF51_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46190804; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46224172; Eh | |||
 | 28-Mar-2025 | fenpyrazamine_CONF57_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1373.46175594; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1241 to 1260 of 6872
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