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Collection's Items (Sorted by Submit Date in Descending order): 1061 to 1080 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_zeta_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67097062; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF166_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66912640; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67061538; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF179_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67300382; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66954683; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF180_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67040609; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF184_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67277992; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF186_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67071902; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF19_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66956257; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66933892; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF20_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66974070; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF205_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67300266; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF208_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67263983; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF224_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67282774; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF238_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67063046; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF24_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67011702; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF240_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67264384; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF247_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67034155; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF248_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67045734; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66947876; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1061 to 1080 of 7773
