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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): 2141 to 2160 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_CONF58_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91759050; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91648278; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF65_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91802444; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF67_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91762989; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF68_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91792400; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF70_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91782540; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF80_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91804055; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF81_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91796669; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF82_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91790735; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF83_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91792804; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF84_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91791851; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF85_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91779649; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91851941; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93626834; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93656666; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93696474; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93656873; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93721467; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93732617; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93638168; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2141 to 2160 of 5986
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