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Collection's Items (Sorted by Submit Date in Descending order): 2721 to 2740 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Permethrin_trans_CONF93_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45008662; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF98_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44838953; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF99_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44950135; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43379367; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43543972; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF101_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43624879; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF102_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43188004; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43660642; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF115_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43596979; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43599962; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF121_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43598980; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43565627; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF134_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43625403; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF137_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43448482; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43653422; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF140_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43607265; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF141_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43632224; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF146_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43446170; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43572840; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF150_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43447360; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2721 to 2740 of 6276
