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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): 2281 to 2300 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_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93764490; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93752444; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93756006; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93757990; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93809843; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93821607; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93815840; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93763532; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93838307; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93810064; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF48_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93755673; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93683803; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93703428; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF52_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93650699; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF53_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93694401; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93757719; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93762597; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93758958; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93641791; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_Z_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93744867; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2281 to 2300 of 5986
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