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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): 1961 to 1980 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | propoxycarbazone-Na_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40120635; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40127840; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF218_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40087630; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF219_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40043691; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40094950; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF222_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40098968; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF223_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40097296; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40108526; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF231_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40050096; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40083088; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40112613; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF289_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39945856; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF291_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39948083; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF296_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39916113; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF298_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39920911; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF304_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39914923; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40099486; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40069752; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF57_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40080068; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF68_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.40088564; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1961 to 1980 of 5986
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