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Collection's Items (Sorted by Submit Date in Descending order): 1121 to 1140 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_zeta_CONF52_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67257307; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF53_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67240621; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF54_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66945285; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF55_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67250253; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF57_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67263057; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF58_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66928440; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF59_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66933294; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67227431; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF60_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67252526; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF61_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66940749; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF63_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67256533; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF64_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67263450; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF65_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67249234; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF67_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67055125; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF68_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67072636; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67216656; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF71_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67222313; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67239533; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF73_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66910639; Eh | |||
 | 26-Mar-2025 | Cypermethrin_zeta_CONF74_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66920421; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1121 to 1140 of 7773
