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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): 2201 to 2220 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_CONF24_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93434208; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93336646; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93352388; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF28_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93339869; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF36_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93355319; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF37_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93340397; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93366287; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF39_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93326889; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93136425; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF42_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93361916; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF43_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93388064; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF47_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93466578; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF48_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93445795; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF49_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93450324; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93339269; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF50_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93355888; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF55_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93329527; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF56_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93323413; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93267591; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF63_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93391081; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2201 to 2220 of 5986
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