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Collection's Items (Sorted by Submit Date in Descending order): 1221 to 1240 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Flucythrinate_CONF295_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11744454; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11865388; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF324_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11755922; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF326_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11971291; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF355_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11832956; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF357_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11845725; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF371_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.12040277; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF394_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11725850; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11756498; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF436_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11832382; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF444_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11749953; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF446_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11793075; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF496_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11846192; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF497_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11853829; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11773715; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF524_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11865430; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF546_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11750935; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF547_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11756387; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF563_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11769748; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF569_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11868031; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1221 to 1240 of 6276
