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Collection's Items (Sorted by Submit Date in Descending order): 2781 to 2800 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Permethrin_trans_CONF60_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43589380; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF61_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43413780; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF62_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43637101; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF63_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43625789; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF64_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43633388; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF66_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43625751; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF67_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43614253; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF68_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43593987; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF69_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43625173; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43652954; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF70_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43613291; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF71_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43437808; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43425278; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF74_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43405383; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF76_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43568499; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF77_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43565730; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF79_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43574522; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43660673; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF82_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43571439; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF83_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43587940; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2781 to 2800 of 6276
