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Collection's Items (Sorted by Submit Date in Descending order): 901 to 920 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_zeta_CONF176_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68344088; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF177_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68359793; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF179_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68683955; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68317780; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF180_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68378525; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF182_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68366915; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF183_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68353342; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF184_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68659849; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF186_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68401616; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF189_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68679508; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68331289; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF190_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68389070; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF196_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68292839; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF198_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68374731; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF199_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68640633; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68291007; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68348291; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF200_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68611593; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF205_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68682740; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF207_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.68660456; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 901 to 920 of 7773
