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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): 1841 to 1860 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | penoxsulam_CONF61_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.59021740; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF62_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.59032528; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF63_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58886089; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF64_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58847831; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF67_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58903419; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF68_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.59143411; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF69_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.59089804; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF72_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58942615; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF73_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58950710; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF74_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58942724; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF76_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.59104310; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF77_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58880801; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF79_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58851143; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF81_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58855137; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF83_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58858913; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF86_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58945353; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF87_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58789829; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF88_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58899787; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF90_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58942049; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF91_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.59007789; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1841 to 1860 of 5986
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