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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): 1481 to 1500 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | imazamox_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35178774; Eh | |||
 | 27-Mar-2025 | imazamox_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35191224; Eh | |||
 | 27-Mar-2025 | imazamox_CONF19_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35174260; Eh | |||
 | 27-Mar-2025 | imazamox_CONF22_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35136241; Eh | |||
 | 27-Mar-2025 | imazamox_CONF24_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35151121; Eh | |||
 | 27-Mar-2025 | imazamox_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35121194; Eh | |||
 | 27-Mar-2025 | imazamox_CONF35_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35103063; Eh | |||
 | 27-Mar-2025 | imazamox_CONF36_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35130189; Eh | |||
 | 27-Mar-2025 | imazamox_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35131433; Eh | |||
 | 27-Mar-2025 | imazamox_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35161742; Eh | |||
 | 27-Mar-2025 | imazamox_CONF45_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35189825; Eh | |||
 | 27-Mar-2025 | imazamox_CONF46_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35213493; Eh | |||
 | 27-Mar-2025 | imazamox_CONF47_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35180453; Eh | |||
 | 27-Mar-2025 | imazamox_CONF48_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35128291; Eh | |||
 | 27-Mar-2025 | imazamox_CONF50_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35110253; Eh | |||
 | 27-Mar-2025 | imazamox_CONF64_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35053466; Eh | |||
 | 27-Mar-2025 | imazamox_CONF81_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35015321; Eh | |||
 | 27-Mar-2025 | imazamox_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35114393; Eh | |||
 | 27-Mar-2025 | imazapic_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -933.79553719; Eh | |||
 | 27-Mar-2025 | imazapic_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -933.79598771; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1481 to 1500 of 5986
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