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Collection's Items (Sorted by Submit Date in Descending order): 1721 to 1740 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Halfenprox_CONF250_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09866115; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF254_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09930655; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF261_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.10077694; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF266_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09901450; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF267_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09882044; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF282_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09621709; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF286_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09921466; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09927304; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF312_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09945909; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF313_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.10052059; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF315_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09826797; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF335_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.10013012; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF338_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.10048088; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF35_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09877268; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF351_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.10199611; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF355_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.10014173; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF356_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09952071; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF357_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09928402; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF366_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.09682157; Eh | |||
 | 24-Mar-2025 | Halfenprox_CONF369_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -3928.10000544; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1721 to 1740 of 6276
