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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): 2181 to 2200 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_CONF66_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93731664; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF67_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93743034; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93766676; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF69_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93759506; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93747551; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93708068; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF81_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93782743; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF82_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93758108; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF83_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93774633; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF85_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93739158; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF88_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93690065; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF89_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93675749; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93212313; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93272413; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93305984; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93346232; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93362576; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93213502; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF21_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93284022; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93203895; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2181 to 2200 of 5986
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