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Collection's Items (Sorted by Submit Date in Descending order): 1161 to 1180 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Flucythrinate_CONF316_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09168727; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF318_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09326434; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF321_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09323213; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF324_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09152206; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF326_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09284292; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF34_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09060194; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF342_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09281838; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF35_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09116383; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF371_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09184527; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF384_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09252360; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF386_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09248156; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09082241; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF446_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09204030; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF482_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09161223; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF496_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09155848; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF497_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09162963; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF5_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09039721; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF546_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09018172; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF547_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09038027; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF549_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09039600; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1161 to 1180 of 6276
