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Collection's Items (Sorted by Submit Date in Descending order): 1201 to 1220 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Flucythrinate_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11767239; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF164_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11913604; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF167_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11848642; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11846438; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF187_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11915776; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF188_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11946934; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11866701; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11838289; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF202_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11785651; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF203_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11805028; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF208_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.12094064; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF213_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11923083; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF223_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11860484; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF224_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11623157; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF247_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11906873; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF253_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11931968; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF254_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.12059363; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF265_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11779356; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF277_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11714880; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF293_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11852713; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1201 to 1220 of 6276
