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Collection's Items (Sorted by Submit Date in Descending order): 2021 to 2040 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | ipconazole_RRS_CONF4_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15785637; Eh | |||
 | 28-Mar-2025 | ipconazole_RRS_CONF44_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15692488; Eh | |||
 | 28-Mar-2025 | ipconazole_RRS_CONF45_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15389338; Eh | |||
 | 28-Mar-2025 | ipconazole_RRS_CONF46_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15404559; Eh | |||
 | 28-Mar-2025 | ipconazole_RRS_CONF52_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15766363; Eh | |||
 | 28-Mar-2025 | ipconazole_RRS_CONF7_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15917414; Eh | |||
 | 28-Mar-2025 | ipconazole_RRS_CONF72_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15644007; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF10_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14385191; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF101_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14028763; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF108_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.13977282; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF110_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14368135; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF112_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14076236; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF126_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.13932396; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF13_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.13933853; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF146_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14097433; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF148_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.13996436; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF15_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.13873438; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF151_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14132669; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF157_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14110930; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF158_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1400.14141119; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2021 to 2040 of 6872
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