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Collection's Items (Sorted by Submit Date in Descending order): 281 to 300 of 7773
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Mar-2025 | Cypermethrin_beta_CONF54_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66889665; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF56_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66864073; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF58_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67100665; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF59_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66870063; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67242937; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF62_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66969615; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF63_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66996309; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF64_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67250863; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF65_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67255424; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF66_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66828441; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF67_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67218763; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF68_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66875728; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF69_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67208104; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67268658; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF70_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66995377; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67017837; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF73_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67018602; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF76_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67005008; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF78_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.66995129; Eh | |||
 | 26-Mar-2025 | Cypermethrin_beta_CONF79_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2050.67030283; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 281 to 300 of 7773
