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Collection's Items (Sorted by Submit Date in Descending order): 361 to 380 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | difenoconazole_RS_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69661080; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF102_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69723523; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF104_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69868210; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF105_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69727185; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF106_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69752916; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF108_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69702883; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF109_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69662245; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF113_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69746136; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF114_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69706306; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF116_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69852371; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF119_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69686432; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF120_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69734657; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF121_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69692208; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF124_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69759301; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF138_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69811129; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF141_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69913698; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF144_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69772078; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF149_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69923899; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69473581; Eh | |||
 | 28-Mar-2025 | difenoconazole_RS_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2044.69540436; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 361 to 380 of 6872
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