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Collection's Items (Sorted by Submit Date in Descending order): 981 to 1000 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_zeta_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68318088; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68207886; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68674175; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68222932; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68645803; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF48_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68646003; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68655612; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67998607; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68342918; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF51_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68297536; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF52_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68633831; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF53_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68620112; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68318904; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68579952; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68269668; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68273724; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF60_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68605124; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68273323; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF62_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68634483; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF63_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68608754; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 981 to 1000 of 7773
