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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): 1441 to 1460 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | imazamethabenz-methyl_p_CONF92_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07774334; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_p_CONF93_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -957.07823062; Eh | |||
 | 27-Mar-2025 | imazamox_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1048.32390571; Eh | |||
 | 27-Mar-2025 | imazamox_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1048.32299923; Eh | |||
 | 27-Mar-2025 | imazamox_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1048.32242924; Eh | |||
 | 27-Mar-2025 | imazamox_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1048.32323182; Eh | |||
 | 27-Mar-2025 | imazamox_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1048.32369059; Eh | |||
 | 27-Mar-2025 | imazamox_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1048.32331980; Eh | |||
 | 27-Mar-2025 | imazamox_CONF28_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1048.32182040; Eh | |||
 | 27-Mar-2025 | imazamox_CONF34_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1048.32320742; Eh | |||
 | 27-Mar-2025 | imazamox_CONF36_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1048.32334257; Eh | |||
 | 27-Mar-2025 | imazamox_CONF38_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1048.32350540; Eh | |||
 | 27-Mar-2025 | imazamox_CONF45_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1048.32398243; Eh | |||
 | 27-Mar-2025 | imazamox_CONF47_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1048.32423972; Eh | |||
 | 27-Mar-2025 | imazamox_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1048.32279091; Eh | |||
 | 27-Mar-2025 | imazamox_CONF50_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1048.32329656; Eh | |||
 | 27-Mar-2025 | imazamox_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1048.32232620; Eh | |||
 | 27-Mar-2025 | imazamox_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1048.32267084; Eh | |||
 | 27-Mar-2025 | imazamox_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35207453; Eh | |||
 | 27-Mar-2025 | imazamox_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1048.35184020; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1441 to 1460 of 5986
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