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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): 2681 to 2700 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | mesosulfuron_CONF314_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83790569; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF315_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83792102; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF316_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2407.83772489; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF247_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87521439; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF248_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87511937; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF249_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87523377; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF255_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87529494; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF256_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87511550; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF257_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87501429; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF263_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87108508; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF280_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87429308; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF281_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87418306; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF284_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87385854; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF285_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87384883; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF286_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87362985; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF287_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87517418; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF288_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87520917; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF289_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87515445; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF290_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87465718; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF292_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87325998; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2681 to 2700 of 5986
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