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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): 2921 to 2940 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | triflusulfuron_CONF651_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11809959; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF652_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11859016; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF653_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11805439; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF654_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11857826; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF655_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11803335; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF656_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11842978; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF657_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11811786; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF658_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11791447; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF662_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11808346; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF664_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11791666; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF666_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11795074; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF677_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11858208; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF689_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11822055; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF692_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11824351; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF693_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11835880; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF694_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11751751; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF697_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11805574; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF699_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11829097; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF700_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11807708; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF711_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11728929; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2921 to 2940 of 5986
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