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Collection's Items (Sorted by Submit Date in Descending order): 2201 to 2220 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Kadethrin_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09424195; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF126_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09405708; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF127_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09479302; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF129_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09331736; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09425293; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF130_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09437090; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF131_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09173434; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF133_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09303947; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF134_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09300816; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF135_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09402408; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF138_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09344755; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09309234; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF141_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09046047; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF146_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09753346; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF148_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09570977; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF150_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09550100; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF159_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09248427; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF160_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09311817; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF163_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09236490; Eh | |||
 | 24-Mar-2025 | Kadethrin_CONF164_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1590.09505969; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2201 to 2220 of 6276
