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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): 2561 to 2580 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | amidosulfuron_CONF153_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1948.87150320; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF154_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1948.87151056; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF155_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1948.87149498; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF156_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1948.87153940; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF157_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1948.87146804; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF158_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1948.87139881; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF159_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1948.87137107; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF160_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1948.87135332; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF153_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1948.89416119; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF154_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1948.89423828; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF155_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1948.89432824; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF156_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1948.89432422; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF157_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1948.89438732; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF158_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1948.89439445; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF171_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1948.89271673; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF147_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1948.89471910; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF148_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1948.89475258; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF153_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1948.89527258; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF154_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1948.89486937; Eh | |||
 | 27-Mar-2025 | amidosulfuron_CONF155_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1948.89502199; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2561 to 2580 of 5986
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