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Collection's Items (Sorted by Submit Date in Descending order): 541 to 560 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Empenthrin-EZ_CONF196_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99908993; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF197_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99889240; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99778614; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF206_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99504098; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF209_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99515497; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF217_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99907258; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF22_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99738797; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF225_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99459905; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF228_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99856401; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF229_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99835367; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF236_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99459277; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF237_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99903419; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF242_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99809137; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99866359; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF250_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99768326; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF251_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99544643; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99900017; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF261_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99731724; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF263_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99928846; Eh | |||
 | 24-Mar-2025 | Empenthrin-EZ_CONF270_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -851.99901924; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 541 to 560 of 6276
