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Collection's Items (Sorted by Submit Date in Descending order): 2181 to 2200 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | ipconazole_RSS_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.17089387; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.17102757; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16975362; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16897810; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16959980; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16902442; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.17304892; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16873365; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF85_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16990967; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF97_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16955975; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF98_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16962945; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16024393; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF12_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16064404; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF14_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16015679; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF21_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15983345; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF23_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16023977; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF33_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15974230; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF6_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15932133; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF66_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15833784; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF7_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16244938; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2181 to 2200 of 6872
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