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Collection's Items (Sorted by Submit Date in Descending order): 2581 to 2600 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Permethrin_trans_CONF85_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42549144; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF86_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42349130; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF87_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42550060; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF88_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42334779; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF89_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42445159; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF92_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42337387; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF93_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42583101; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF94_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42565649; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF95_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42425822; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF96_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42595337; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF98_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42371167; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF99_gas | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1958.42668782; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44715500; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44902550; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF101_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45030463; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF102_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44529745; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF108_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44956925; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45024062; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF115_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.45001569; Eh | |||
 | 24-Mar-2025 | Permethrin_trans_CONF12_octanol | Pulgar Rubio, Antonio | Orca; 5.0.3; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44981935; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2581 to 2600 of 6276
