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Collection's Items (Sorted by Submit Date in Descending order): 2641 to 2660 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Permethrin_trans_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45004320; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF254_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45006755; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF255_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44966687; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF256_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44756131; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF258_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44767151; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44822084; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF264_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44939333; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF269_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44763809; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF27_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44809502; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44789723; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF285_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45024997; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44869319; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF291_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45005323; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF293_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45022461; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF298_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45028426; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44931363; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45014664; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF311_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44986180; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF315_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44998694; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44805097; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2641 to 2660 of 6276
