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Collection's Items (Sorted by Submit Date in Descending order): 161 to 180 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_beta_CONF117_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67066078; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67239443; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF121_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66951845; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF122_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67144698; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF124_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67044548; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF125_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67013264; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF126_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67158855; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67277312; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF133_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67292817; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF135_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67130922; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF137_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67370079; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF139_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67279827; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67246723; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF142_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67023490; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF145_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67270241; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF146_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67370550; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF149_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67173317; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF153_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67041098; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF155_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67042258; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67287039; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 161 to 180 of 7773
