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Collection's Items (Sorted by Submit Date in Descending order): 1361 to 1380 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Flumethrin_CONF41_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98356760; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF46_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98574389; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF47_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98558183; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF48_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98554095; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF60_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98562326; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF61_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98554446; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.97751369; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF72_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98177750; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF74_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98171523; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF77_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98239115; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.97947680; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.97962396; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF95_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2380.98360466; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01029672; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01250024; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01146740; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01086262; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01020421; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01407330; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01156575; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1361 to 1380 of 6276
