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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): 1141 to 1160 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | diclosulam_CONF72_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40598971; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF76_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40569880; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF78_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40503900; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF80_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40554933; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF81_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40513216; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF82_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40604702; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF87_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40601596; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF101_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40593119; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF105_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40620642; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF107_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40645391; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF114_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40656931; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF47_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40256621; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF53_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40384665; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF60_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40508699; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF61_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40438536; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF62_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40519794; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF63_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40532712; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF64_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40451586; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF65_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40478199; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF66_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2419.40366086; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1141 to 1160 of 5986
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