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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): 2861 to 2880 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | nicosulfuron_CONF175_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68290438; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF176_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68299221; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68750998; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF115_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68127248; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF116_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68093235; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF117_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68109663; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF118_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68083791; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF120_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68101486; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF123_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68068807; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF124_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68109391; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF125_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68101477; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF129_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68144505; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF13_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68045598; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF135_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68105878; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF14_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68061267; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF15_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68069853; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF16_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68002478; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF168_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.67802736; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF169_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.67885947; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF17_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.67999930; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2861 to 2880 of 5986
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