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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): 2001 to 2020 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | propoxycarbazone-Na_CONF137_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39864132; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF138_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39895264; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF139_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39918673; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF14_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39721644; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF140_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39924130; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF141_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39631836; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF142_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39864794; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF144_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39763102; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF146_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39798707; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF149_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39811690; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF150_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39731829; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF163_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39860471; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF165_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39813449; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF167_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39818070; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF168_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39831103; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF170_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39838504; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF18_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39735676; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF182_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39881377; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF183_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39881468; Eh | |||
 | 27-Mar-2025 | propoxycarbazone-Na_CONF185_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1726.39896778; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2001 to 2020 of 5986
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