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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): 2721 to 2740 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | mesosulfuron_CONF255_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87681055; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF256_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87645849; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF257_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87636260; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF261_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87536728; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF263_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87316408; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF270_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.86872551; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF272_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.86802509; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF280_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87519878; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF281_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87519375; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF284_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87409916; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF285_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87422604; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF286_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87400869; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF287_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87528754; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF288_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87544303; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF289_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87586946; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF291_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87518499; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF292_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87352395; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF305_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87509621; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF306_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87471467; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF307_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87504840; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2721 to 2740 of 5986
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