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Collection's Items (Sorted by Submit Date in Descending order): 521 to 540 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Empenthrin-EZ_CONF99_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01021281; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF101_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99819257; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF105_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99747515; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF112_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99804800; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF121_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99805391; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF123_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99820601; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF124_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99835341; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF126_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99855646; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF129_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99834095; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF138_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99823957; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF142_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99851389; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF146_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99697932; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF148_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99734907; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF150_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99849777; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF154_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99830184; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF182_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99588581; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF184_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99913210; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF186_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99769490; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF193_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99867711; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF195_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99684097; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 521 to 540 of 6276
