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Collection's Items (Sorted by Submit Date in Descending order): 481 to 500 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Empenthrin-EZ_CONF322_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.00959780; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF328_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.00925693; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF342_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01061016; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF357_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.00927030; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF363_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.00896201; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF367_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.00975864; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF369_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.00996454; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF380_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01006032; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF386_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.00851011; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF389_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.00962366; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01166338; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF400_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.00945621; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF405_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.00886538; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF424_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01066879; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF426_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01152586; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF429_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01060265; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF437_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.00951310; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF444_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01067963; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.00963880; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF48_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01144774; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 481 to 500 of 6276
