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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): 1901 to 1920 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | penoxsulam_CONF87_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62068915; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF101_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.36976013; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF106_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37084984; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF13_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37119055; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF131_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37191944; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF132_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37180863; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF137_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37185069; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF138_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37181949; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF140_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37170168; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF142_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37165734; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF158_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37136942; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF160_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37125538; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF165_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37117548; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF166_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37137698; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF169_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37138529; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF171_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37129092; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF178_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37136277; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF189_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37136836; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF20_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37102532; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF22_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37085312; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1901 to 1920 of 5986
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