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Collection's Items (Sorted by Submit Date in Descending order): 2141 to 2160 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | ipconazole_RSR_CONF24_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15850991; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF241_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15754539; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF25_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15777307; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF250_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15722939; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF263_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15717573; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF285_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15756067; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF288_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15843032; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF3_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15672997; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF315_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15782471; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF317_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15629432; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF33_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15918757; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF35_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15973852; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF37_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15859675; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF4_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15686514; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF47_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15681544; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF5_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15608014; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF58_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15801663; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF6_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15560274; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF61_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15814044; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF63_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15852958; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2141 to 2160 of 6872
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