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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): 2261 to 2280 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF66_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91850490; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF71_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91777722; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF72_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91801783; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF73_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91787575; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF74_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91770210; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF78_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91741944; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF79_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1274.91754441; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93628905; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93684970; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93710222; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93725247; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93708004; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93737635; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93671815; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93726024; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93728911; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93737246; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93724311; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93711641; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93712754; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2261 to 2280 of 5986
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