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Collection's Items (Sorted by Submit Date in Descending order): 1281 to 1300 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Flucythrinate_CONF203_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10552956; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF207_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10551068; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF208_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10774841; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF213_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10667974; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF221_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10641824; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF223_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10647892; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF224_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10438422; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF247_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10644949; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF253_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10605192; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF254_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10777429; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF274_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10645897; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF293_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10601688; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10591353; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF312_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10485125; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF324_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10522776; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF326_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10663052; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF34_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10483397; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF35_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10353094; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF355_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10621307; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF371_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10736798; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1281 to 1300 of 6276
