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Collection's Items (Sorted by Submit Date in Descending order): 441 to 460 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Empenthrin-EZ_CONF77_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99628311; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF78_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99620354; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF89_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99538411; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -851.99348372; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01001004; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF105_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01060017; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF109_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01105273; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF112_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01115437; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF113_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01271510; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF116_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01120644; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01049536; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF123_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01129707; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF124_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01133159; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF126_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01139390; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF128_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01180251; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF129_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01134100; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF154_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01123917; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF186_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01191800; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF193_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01160248; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -852.01134302; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 441 to 460 of 6276
