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Collection's Items (Sorted by Submit Date in Descending order): 1241 to 1260 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Flucythrinate_CONF57_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.12049031; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF578_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11689560; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF580_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11773741; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF581_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11743020; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11868779; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF600_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11825165; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF618_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11700401; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF629_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11730723; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF654_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11787892; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF656_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11767473; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF675_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.12031988; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF682_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.12013038; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF690_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11906872; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF715_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11816658; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF740_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11861516; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF744_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11851763; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF757_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11875923; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF76_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11731754; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11820797; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF81_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1560.11927729; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1241 to 1260 of 6276
