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DOI: 10.19061/iochem-bd-6-516
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Collection's Items (Sorted by Submit Date in Descending order): 2221 to 2240 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF64_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93402039; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF67_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93377769; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF69_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93398123; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF70_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93406326; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93316542; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF74_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93310914; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93319743; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF80_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93453429; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF81_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93454387; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF82_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93439937; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF83_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93447833; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF85_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93361361; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF88_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93336249; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF89_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93329712; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF92_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93319714; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91732193; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91669317; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91648195; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91750834; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91781744; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2221 to 2240 of 5986
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