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Collection's Items (Sorted by Submit Date in Descending order): 1101 to 1120 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_zeta_CONF36_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66935755; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF372_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66995042; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF373_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66989329; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF375_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67162149; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF377_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67121128; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67302989; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF39_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66926618; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66810466; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF40_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67185871; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF41_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67179812; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF42_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67274030; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF43_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66989245; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF45_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67302240; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF46_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66944760; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF47_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67326850; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF48_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67270585; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF49_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67274955; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66704469; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF50_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67007537; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF51_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66987758; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1101 to 1120 of 7773
