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Collection's Items (Sorted by Submit Date in Descending order): 2101 to 2120 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | ipconazole_RSR_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16723897; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16829408; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16926143; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16847165; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF59_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16695704; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16805646; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF63_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16905512; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF64_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16810669; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF69_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16802422; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF72_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16549332; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16548142; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF88_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16625075; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF98_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.16588196; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15874922; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF10_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15740171; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF101_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15849267; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF103_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15773799; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF105_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15789523; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF109_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15978591; Eh | |||
 | 28-Mar-2025 | ipconazole_RSR_CONF11_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1400.15570218; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2101 to 2120 of 6872
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