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Collection's Items (Sorted by Submit Date in Descending order): 1381 to 1400 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | flutriafol_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1056.79702053; Eh | |||
 | 28-Mar-2025 | flutriafol_CONF57_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1056.79694803; Eh | |||
 | 28-Mar-2025 | flutriafol_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1056.79992529; Eh | |||
 | 28-Mar-2025 | flutriafol_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1056.79957436; Eh | |||
 | 28-Mar-2025 | flutriafol_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1056.79276737; Eh | |||
 | 28-Mar-2025 | flutriafol_CONF11_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1056.79114449; Eh | |||
 | 28-Mar-2025 | flutriafol_CONF13_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1056.79065885; Eh | |||
 | 28-Mar-2025 | flutriafol_CONF15_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1056.79228961; Eh | |||
 | 28-Mar-2025 | flutriafol_CONF29_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1056.79086716; Eh | |||
 | 28-Mar-2025 | flutriafol_CONF3_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1056.79149079; Eh | |||
 | 28-Mar-2025 | flutriafol_CONF37_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1056.78998642; Eh | |||
 | 28-Mar-2025 | flutriafol_CONF39_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1056.78964358; Eh | |||
 | 28-Mar-2025 | flutriafol_CONF4_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1056.79220886; Eh | |||
 | 28-Mar-2025 | flutriafol_CONF5_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1056.79260716; Eh | |||
 | 28-Mar-2025 | flutriafol_CONF54_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1056.79021040; Eh | |||
 | 28-Mar-2025 | flutriafol_CONF57_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1056.79057644; Eh | |||
 | 28-Mar-2025 | flutriafol_CONF6_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1056.79230282; Eh | |||
 | 28-Mar-2025 | flutriafol_CONF8_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1056.79155839; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1703.69511923; Eh | |||
 | 28-Mar-2025 | hexaconazole_CONF10_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1703.69155366; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1381 to 1400 of 6872
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