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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): 1921 to 1940 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | propoxycarbazone-Na_CONF23_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37078872; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF25_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37085998; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF39_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37088352; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF60_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37043491; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF61_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37038497; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF63_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37027034; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF71_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37089187; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF75_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37050406; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF78_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37036434; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF79_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.36981636; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF82_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.37081392; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF92_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1726.36971357; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF101_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39941817; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF106_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40121054; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40132414; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF13_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40119257; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF131_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40306875; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF132_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40305891; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF133_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40273398; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF134_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40238023; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1921 to 1940 of 5986
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