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Collection's Items (Sorted by Submit Date in Descending order): 2241 to 2260 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Kadethrin_CONF240_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09555892; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09365303; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF27_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09453247; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09285095; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09391179; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF32_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09385734; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF35_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09397312; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF36_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09484254; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF37_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09492971; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF40_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09505862; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF43_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09506709; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF49_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09428545; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09353160; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF53_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09541807; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF55_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09580206; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09407635; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF61_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09537425; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF73_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09454257; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF75_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09501019; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF79_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09681119; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2241 to 2260 of 6276
