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Collection's Items (Sorted by Submit Date in Descending order): 1301 to 1320 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Flucythrinate_CONF394_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10493736; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10500054; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF43_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10375493; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF444_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10537831; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF446_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10570231; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF477_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10553098; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF496_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10581429; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10487874; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF524_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10608983; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF546_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10613290; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF563_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10538239; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF569_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10582343; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF57_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10770325; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF571_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10607842; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF578_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10456906; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF580_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10544342; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF583_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10548131; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10585856; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF600_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10538752; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF61_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10410966; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1301 to 1320 of 6276
