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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): 2661 to 2680 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | mesosulfuron_CONF281_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83894354; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF284_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83911184; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF285_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83914461; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF286_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83904134; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF287_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83953463; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF288_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83934713; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF289_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83939478; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF290_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83948579; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF291_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83949188; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF292_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83894750; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF293_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83886087; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF294_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83890634; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF295_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83901695; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF296_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83942398; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF300_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83889611; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF302_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83890857; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF310_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83780350; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF311_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83786915; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF312_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83785301; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF313_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83783253; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2661 to 2680 of 5986
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