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Collection's Items (Sorted by Submit Date in Descending order): 2341 to 2360 of 6872
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Mar-2025 | metconazole_cis_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.85634766; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.85363827; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF27_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.85628104; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.85390651; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.85347646; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.85424425; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.85400208; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF63_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.85493423; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84350050; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF12_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84446482; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF13_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84455319; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF18_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84556972; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84401410; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF21_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84433731; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF22_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84423525; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF24_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84651796; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF25_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84396321; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF35_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84415545; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF37_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84378071; Eh | |||
 | 28-Mar-2025 | metconazole_cis_CONF44_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1360.84480513; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2341 to 2360 of 6872
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