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Collection's Items (Sorted by Submit Date in Descending order): 681 to 700 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_theta_CONF69_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67227163; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67215529; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF70_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67278129; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF71_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67087486; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67231171; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF73_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67236242; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF74_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66924165; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF75_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67093293; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF76_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67246850; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF77_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66934409; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF78_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67315103; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF79_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67255356; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67127864; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF82_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67316287; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF83_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67312987; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF87_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67272918; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF89_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66810367; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF91_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67295751; Eh | |||
 | 26-Mar-2025 | Cypermethrin_theta_CONF95_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67299699; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2050.65623971; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 681 to 700 of 7773
