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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): 1041 to 1060 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | cloransulam-methyl_CONF69_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70362890; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF71_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70380979; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF72_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70401570; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF73_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70405002; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF76_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70383006; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF82_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70402852; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF102_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70431151; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70124048; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70225857; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF20_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70454400; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF200_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70090849; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF21_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70453459; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70416053; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70423254; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF259_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70405047; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF264_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70412148; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF28_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70363946; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF281_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70113652; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF29_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70362465; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70416084; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1041 to 1060 of 5986
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