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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): 2521 to 2540 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99413214; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99498618; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99371440; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF48_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99216201; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99071921; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99286306; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF53_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99172091; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99138142; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99152912; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99128451; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF57_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99185566; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99210341; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF59_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99258035; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF60_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99297562; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99273098; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF128_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99315714; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF135_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99277292; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF136_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99317405; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF43_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99476830; Eh | |||
 | 27-Mar-2025 | trifloxysulfuron-Na_CONF44_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1964.99498046; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2521 to 2540 of 5986
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