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Collection's Items (Sorted by Submit Date in Descending order): 21 to 40 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | azaconazole_CONF11_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1699.07746110; Eh | |||
 | 28-Mar-2025 | azaconazole_CONF12_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1699.07998210; Eh | |||
 | 28-Mar-2025 | azaconazole_CONF13_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1699.07754564; Eh | |||
 | 28-Mar-2025 | azaconazole_CONF14_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1699.07825835; Eh | |||
 | 28-Mar-2025 | azaconazole_CONF16_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1699.07838748; Eh | |||
 | 28-Mar-2025 | azaconazole_CONF17_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1699.08005194; Eh | |||
 | 28-Mar-2025 | azaconazole_CONF18_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1699.07677329; Eh | |||
 | 28-Mar-2025 | azaconazole_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1699.07752104; Eh | |||
 | 28-Mar-2025 | azaconazole_CONF4_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1699.07813560; Eh | |||
 | 28-Mar-2025 | azaconazole_CONF6_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1699.07934688; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF15_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1090.75678220; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF19_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1090.75592788; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF5_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1090.75991486; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF54_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1090.75682688; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF55_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1090.75689009; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF56_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1090.75680027; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF58_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1090.75544749; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF59_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1090.75547494; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF60_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1090.75555102; Eh | |||
 | 28-Mar-2025 | bitertanol_RR_CONF61_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1090.75540737; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 21 to 40 of 6872
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