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Collection's Items (Sorted by Submit Date in Descending order): 421 to 440 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | difenoconazole_RS_CONF109_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68668611; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF112_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68925789; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF114_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68756418; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF115_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68944053; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF116_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68894973; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF122_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68749354; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF127_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68925060; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF137_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68971376; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF141_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68997909; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF149_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68966158; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF152_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68778764; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF157_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68983475; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF161_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68911377; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF25_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68718733; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF27_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68701899; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF36_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68773816; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF37_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68740190; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF4_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68636428; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF42_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68728128; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF44_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.68707465; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 421 to 440 of 6872
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