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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): 2621 to 2640 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | flazasulfuron_CONF131_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43854649; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF132_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43861602; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF133_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43871088; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF136_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43830498; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF137_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43821561; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF138_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43799045; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF139_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43791468; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF140_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43790379; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF141_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43789160; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF143_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43807524; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF144_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43776372; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF115_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43716731; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF116_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43856109; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF118_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43822046; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF119_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43822814; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF122_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43687737; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF123_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43674803; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF124_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43694350; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF125_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43709815; Eh | |||
 | 27-Mar-2025 | flazasulfuron_CONF126_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1850.43725968; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2621 to 2640 of 5986
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