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Collection's Items (Sorted by Submit Date in Descending order): 581 to 600 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Empenthrin-EZ_CONF394_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99757039; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF399_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99609242; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF405_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99593353; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF407_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99712885; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF426_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99963797; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF429_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99786139; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF437_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99721974; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF44_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99803278; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF444_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99799818; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF46_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99740223; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF47_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99702391; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF48_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99865394; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF49_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99730937; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99889336; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF50_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99963870; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF509_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99645478; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF51_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99720666; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF516_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99661715; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF528_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99714899; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF56_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99863036; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 581 to 600 of 6276
