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Collection's Items (Sorted by Submit Date in Descending order): 241 to 260 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_beta_CONF31_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67067755; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF317_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67291209; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF318_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67281737; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF32_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67219358; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF323_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67088225; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF328_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67074247; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF329_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67086320; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF33_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67068570; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF332_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67381488; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF334_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67080557; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF346_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67332686; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF348_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67061396; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF351_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67054396; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF355_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67061263; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF358_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67369991; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF36_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66646917; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF367_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67370584; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF37_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66980051; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF373_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67040981; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF380_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67385985; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 241 to 260 of 7773
