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Collection's Items (Sorted by Submit Date in Descending order): 401 to 420 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | difenoconazole_RS_CONF65_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69838376; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69719138; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF72_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69787906; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF73_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69940760; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF74_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69934546; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF78_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69757270; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69754880; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF81_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69935969; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF84_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69958687; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF85_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69866502; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69752430; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF90_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69847186; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF91_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69632653; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF94_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69665859; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF99_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69945605; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68560922; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF100_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69028766; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF102_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68759642; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF104_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68917628; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF106_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68650518; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 401 to 420 of 6872
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