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Collection's Items (Sorted by Submit Date in Descending order): 561 to 580 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Empenthrin-EZ_CONF282_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99789589; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF285_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99580023; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF294_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99572394; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF296_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99521944; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF298_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99521155; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99718748; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF304_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99573202; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF307_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99757927; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF319_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99759456; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF322_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99668018; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF327_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99597483; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF33_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99779102; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF342_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99785279; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF354_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99722733; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF357_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99633409; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF364_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99614755; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF368_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99595822; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF369_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99701908; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF383_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99639444; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF389_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99676011; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 561 to 580 of 6276
