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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): 2021 to 2040 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | propoxycarbazone-Na_CONF187_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39888371; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF19_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39712775; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF191_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39879559; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF193_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39892329; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF20_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39752723; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF218_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39774599; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF219_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39754550; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF22_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39734572; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF222_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39687121; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF223_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39720418; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF226_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39706554; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF23_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39745444; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF233_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39530939; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF24_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39700246; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF25_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39750263; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF259_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39735546; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF277_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39503396; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF304_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39570111; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF51_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39695534; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF52_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39659910; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2021 to 2040 of 5986
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