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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): 1881 to 1900 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | penoxsulam_CONF88_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62500488; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF90_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62446783; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF91_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62364500; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF96_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62563253; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF97_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62503383; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF100_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62371503; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF104_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62358844; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF120_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62181010; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF135_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62416347; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF137_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62422302; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF36_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.61871459; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF43_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.61852735; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF61_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62440461; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF62_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62396230; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF67_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62093888; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF79_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62348751; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF80_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62290747; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF81_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62298100; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF82_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62346083; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF83_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2165.62320181; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1881 to 1900 of 5986
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