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Collection's Items (Sorted by Submit Date in Descending order): 281 to 300 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | difenoconazole_RR_CONF44_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68635477; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF49_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68738142; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF5_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68630326; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF50_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68792091; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF52_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68788980; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF54_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68738544; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF59_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68742138; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF60_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68777967; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF61_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68637380; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF62_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68814531; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF63_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68565049; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF66_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68816357; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF70_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68811271; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF71_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68597839; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF72_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68913123; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF73_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68750134; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF75_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68859435; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF77_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68820802; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF81_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68905544; Eh | |||
 | 28-Mar-2025 | difenoconazole_RR_CONF83_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68819737; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 281 to 300 of 6872
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