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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): 2821 to 2840 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | nicosulfuron_CONF13_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65260449; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF131_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65513615; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF132_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65514410; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF135_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65511591; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF14_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65257124; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF144_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65514428; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF15_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65259457; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF16_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65262779; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF168_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65280230; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF169_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65262813; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF17_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65263971; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF170_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65267248; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF18_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65257530; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF19_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65256821; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF73_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.64924614; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF74_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.64922593; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF80_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.64924000; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF109_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68668995; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF110_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68660296; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF111_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68663635; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2821 to 2840 of 5986
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