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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): 2901 to 2920 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | rimsulfuron_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2140.62559835; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2140.62548251; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2140.62650855; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2140.62645434; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF12_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2140.62704511; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF13_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2140.62724321; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF14_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2140.62760244; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF15_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2140.62709862; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF18_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2140.62692918; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF19_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2140.62718733; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF20_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2140.62715148; Eh | |||
 | 27-Mar-2025 | rimsulfuron_CONF21_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2140.62860629; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF635_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11666257; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF636_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11657845; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF637_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11666859; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF638_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.12019544; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF639_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.12019525; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF640_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.12023926; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF641_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.12023042; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF642_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.12011993; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2901 to 2920 of 5986
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