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Collection's Items (Sorted by Submit Date in Descending order): 1321 to 1340 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Flucythrinate_CONF618_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10455075; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF629_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10492846; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF656_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10550522; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF675_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10695782; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF682_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10734876; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF690_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10661993; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10606098; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF715_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10605978; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF744_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10566739; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF757_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10586104; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF76_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10494914; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF79_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10497843; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF81_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10599089; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF827_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10507004; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF83_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10626833; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF85_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10816128; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF867_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10578744; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF871_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10622819; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF88_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10348081; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF89_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.10797650; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1321 to 1340 of 6276
