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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): 2161 to 2180 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_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93671282; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93655680; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93656414; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93722108; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93730901; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93761346; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93794079; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93780941; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93541202; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93698102; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93801180; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93816295; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93792431; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF48_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93815869; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93685210; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF53_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93606443; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93672383; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93679355; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF63_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93736630; Eh | |||
 | 27-Mar-2025 | pyriminobac-methyl_E_CONF65_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1274.93761552; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2161 to 2180 of 5986
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