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Collection's Items (Sorted by Submit Date in Descending order): 1141 to 1160 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Flucythrinate_CONF188_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09470190; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09262457; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09257239; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF203_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09190162; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF207_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09163166; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF208_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09339017; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09266663; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09244795; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF247_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09164385; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF253_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09432504; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF254_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09332781; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF260_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09108690; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF277_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.08998957; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF293_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09275535; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF295_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09005544; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF297_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09200450; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09122709; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF309_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09175496; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF312_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09189500; Eh | |||
 | 24-Mar-2025 | Flucythrinate_CONF313_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1560.09233844; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1141 to 1160 of 6276
