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Collection's Items (Sorted by Submit Date in Descending order): 2581 to 2600 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | naftifine_CONF167_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68288468; Eh | |||
 | 28-Mar-2025 | naftifine_CONF169_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68266315; Eh | |||
 | 28-Mar-2025 | naftifine_CONF170_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68283607; Eh | |||
 | 28-Mar-2025 | naftifine_CONF171_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68269348; Eh | |||
 | 28-Mar-2025 | naftifine_CONF176_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68292784; Eh | |||
 | 28-Mar-2025 | naftifine_CONF178_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68367384; Eh | |||
 | 28-Mar-2025 | naftifine_CONF179_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68329984; Eh | |||
 | 28-Mar-2025 | naftifine_CONF182_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68277667; Eh | |||
 | 28-Mar-2025 | naftifine_CONF183_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68312499; Eh | |||
 | 28-Mar-2025 | naftifine_CONF186_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68259477; Eh | |||
 | 28-Mar-2025 | naftifine_CONF189_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68142612; Eh | |||
 | 28-Mar-2025 | naftifine_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67917366; Eh | |||
 | 28-Mar-2025 | naftifine_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68028729; Eh | |||
 | 28-Mar-2025 | naftifine_CONF213_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68340927; Eh | |||
 | 28-Mar-2025 | naftifine_CONF216_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68297084; Eh | |||
 | 28-Mar-2025 | naftifine_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67878950; Eh | |||
 | 28-Mar-2025 | naftifine_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68226293; Eh | |||
 | 28-Mar-2025 | naftifine_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68178056; Eh | |||
 | 28-Mar-2025 | naftifine_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68219646; Eh | |||
 | 28-Mar-2025 | naftifine_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68275828; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2581 to 2600 of 6872
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