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Collection's Items (Sorted by Submit Date in Descending order): 2601 to 2620 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | naftifine_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67930229; Eh | |||
 | 28-Mar-2025 | naftifine_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68064917; Eh | |||
 | 28-Mar-2025 | naftifine_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67869101; Eh | |||
 | 28-Mar-2025 | naftifine_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67950455; Eh | |||
 | 28-Mar-2025 | naftifine_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67959027; Eh | |||
 | 28-Mar-2025 | naftifine_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68028477; Eh | |||
 | 28-Mar-2025 | naftifine_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68035013; Eh | |||
 | 28-Mar-2025 | naftifine_CONF52_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68063796; Eh | |||
 | 28-Mar-2025 | naftifine_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67977282; Eh | |||
 | 28-Mar-2025 | naftifine_CONF60_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68449886; Eh | |||
 | 28-Mar-2025 | naftifine_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68503003; Eh | |||
 | 28-Mar-2025 | naftifine_CONF64_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68448282; Eh | |||
 | 28-Mar-2025 | naftifine_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68525017; Eh | |||
 | 28-Mar-2025 | naftifine_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.67773668; Eh | |||
 | 28-Mar-2025 | naftifine_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68520427; Eh | |||
 | 28-Mar-2025 | naftifine_CONF71_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68504089; Eh | |||
 | 28-Mar-2025 | naftifine_CONF72_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68295043; Eh | |||
 | 28-Mar-2025 | naftifine_CONF73_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68294669; Eh | |||
 | 28-Mar-2025 | naftifine_CONF74_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68287803; Eh | |||
 | 28-Mar-2025 | naftifine_CONF77_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -867.68528323; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2601 to 2620 of 6872
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