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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): 2781 to 2800 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | triasulfuron_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61066523; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61038324; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61379012; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61178315; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61106818; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61149598; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61390307; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61139605; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61174458; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61139567; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61209437; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61365257; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF53_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61317370; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61403121; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61106258; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.60990804; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61059951; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF28_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61071785; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.60799527; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF31_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.60819367; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2781 to 2800 of 5986
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