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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): 921 to 940 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | cloransulam-methyl_CONF181_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67027964; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF185_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67014077; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF186_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.66776999; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF187_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67053785; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF193_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67056363; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67163795; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.66947977; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF200_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67031180; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF202_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.66928779; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.66953537; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF210_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.66997127; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67388757; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF221_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.66984569; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF225_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.66974530; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF227_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.66956495; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF229_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.66970882; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.66876986; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF236_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.66979995; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67387126; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF243_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.66975028; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 921 to 940 of 5986
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