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Collection's Items (Sorted by Submit Date in Descending order): 2061 to 2080 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | ipconazole_RSR_CONF70_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14061800; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF71_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.13943758; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF72_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.13946899; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF82_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.13894541; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF88_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14021290; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF99_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14050718; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16937525; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF100_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16895048; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF107_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16840012; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16570546; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF110_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.17118289; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF113_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16739156; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF121_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16602232; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF125_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16837551; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16565349; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF146_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16946872; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF151_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16962596; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF157_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16867008; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF158_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16910791; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF160_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16790209; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2061 to 2080 of 6872
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