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Collection's Items (Sorted by Submit Date in Descending order): 2761 to 2780 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Permethrin_trans_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43650129; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF34_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43433278; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF35_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43425019; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF36_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43403992; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43598016; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF42_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43481299; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF43_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43444743; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF45_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43027116; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF46_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43021553; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF47_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43381840; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF48_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43601372; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF49_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43594527; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF52_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43637294; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF53_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43631980; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF55_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43273657; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF56_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43606514; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF57_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43585532; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF58_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43603376; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF59_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43612669; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.43638017; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2761 to 2780 of 6276
