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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): 1861 to 1880 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | penoxsulam_CONF104_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62632004; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF120_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62395124; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF135_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62547103; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF145_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62408610; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF146_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62412003; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF147_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62420085; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF166_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.63025437; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62067390; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62136058; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62597201; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF62_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62581439; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF67_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62190393; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62501287; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF77_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62442924; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF79_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62554760; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF80_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62609757; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF81_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62592087; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF82_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62447528; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF86_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62366997; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF87_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62360592; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1861 to 1880 of 5986
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