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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): 2841 to 2860 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | nicosulfuron_CONF112_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68679965; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF114_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68635215; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF115_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68378673; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF116_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68346401; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF117_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68416248; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF118_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68386470; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF120_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68425651; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF123_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68305234; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF124_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68430181; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF125_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68385537; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF129_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68323769; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF131_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68262418; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF132_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68223125; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF135_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68393398; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF139_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68324916; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.67917462; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF144_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68258927; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.67945089; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF169_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.67842353; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF170_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.67859011; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2841 to 2860 of 5986
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