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Collection's Items (Sorted by Submit Date in Descending order): 2161 to 2180 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | ipconazole_RSR_CONF64_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15628172; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF67_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15622625; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF69_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15654199; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF8_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15527568; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF9_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15532393; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF99_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15751499; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14313000; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF12_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14444149; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF24_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14331013; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF49_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14199399; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF5_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14157078; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF6_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14163680; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF67_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14197879; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF7_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14556641; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF85_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14207991; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF97_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14172692; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.17012294; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.17211449; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.17068552; Eh | |||
 | 28-Mar-2025 | ipconazole_RSS_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.17034563; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2161 to 2180 of 6872
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