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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): 961 to 980 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | cloransulam-methyl_CONF39_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67119359; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF41_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.66930980; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF42_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67173561; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF43_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67169820; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF44_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67072587; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF45_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67088403; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF46_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67089168; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF54_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67195109; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF56_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67196042; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF57_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.66933152; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF58_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.66950947; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF59_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67473753; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.66986363; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF67_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67004570; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF68_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67247109; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF69_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67263342; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.66978153; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF71_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67217481; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF72_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67218508; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF74_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67150754; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 961 to 980 of 5986
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