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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): 2401 to 2420 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | pyroxsulam_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81394174; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF61_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81611594; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81402859; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81363125; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85118253; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85109717; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85249916; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85245043; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85214055; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85170544; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF48_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85098320; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85065933; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85230976; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF52_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85161820; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85082691; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85018948; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF57_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85025932; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF59_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85075463; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF60_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85108159; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1943.85095490; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2401 to 2420 of 5986
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