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Collection's Items (Sorted by Submit Date in Descending order): 2661 to 2680 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Permethrin_trans_CONF351_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44789193; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44758844; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF373_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44810895; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF380_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44806442; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44631661; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF391_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45068133; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44962077; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44912070; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44862097; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF467_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45085120; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44721525; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF470_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45031142; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF473_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45063103; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF48_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44957749; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF485_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45068350; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44938493; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF490_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45030167; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44971147; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF502_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45063469; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF507_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45084950; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2661 to 2680 of 6276
