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Collection's Items (Sorted by Submit Date in Descending order): 2421 to 2440 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Permethrin_cis_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44697584; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF268_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44436016; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF28_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44431313; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF327_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44472270; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44416026; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44542227; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44455768; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44464434; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44430145; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44405057; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44734884; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44726826; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF65_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44254616; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF69_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44774610; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44592628; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44430338; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44579071; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF91_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44372428; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF96_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44585134; Eh | |||
 | 24-Mar-2025 | Permethrin_cis_CONF97_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1958.44251590; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2421 to 2440 of 6276
