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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): 2881 to 2900 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | nicosulfuron_CONF170_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.67896505; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF18_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.67923721; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF19_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68018872; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF36_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.68538813; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF73_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.67563636; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF74_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.67567970; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF80_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1760.67572621; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF12_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2140.59421258; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF13_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2140.59428834; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF14_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2140.59447584; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF15_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2140.59448782; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF18_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2140.59388272; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF19_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2140.59395865; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF20_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2140.59405410; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF21_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2140.59418701; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF3_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2140.59311603; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2140.62559753; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2140.62577495; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2140.62582537; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2140.62568511; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2881 to 2900 of 5986
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