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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): 2381 to 2400 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | pyroxsulam_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81475335; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81435546; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81445399; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81483419; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81382494; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81393391; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81631000; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81380704; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF30_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81707319; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81316062; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF42_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81694409; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF43_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81697197; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF45_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81656657; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF46_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81693809; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF47_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81720122; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF48_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81699731; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF49_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81676094; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF50_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81752458; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF55_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81624823; Eh | |||
 | 27-Mar-2025 | pyroxsulam_CONF56_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1943.81604607; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2381 to 2400 of 5986
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