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Collection's Items (Sorted by Submit Date in Descending order): 1381 to 1400 of 6276
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Mar-2025 | Flumethrin_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01067781; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01083222; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01425984; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01312634; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01498548; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01551438; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01065358; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01501246; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01523108; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01473248; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF43_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01497005; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01601370; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF48_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01620168; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01606030; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01110282; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF50_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01601175; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF51_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01601579; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01562258; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01572109; Eh | |||
 | 24-Mar-2025 | Flumethrin_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2381.01566596; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1381 to 1400 of 6276
