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DOI: 10.19061/iochem-bd-6-516
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Collection's Items (Sorted by Submit Date in Descending order): 2061 to 2080 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | pyribenzoxim_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2111.34461947; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF3_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2111.34428199; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF4_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2111.34457216; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2111.36905456; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF14_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2111.36847723; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2111.36477098; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2111.36412326; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2111.37025324; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2111.36969094; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2111.36845144; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2111.36753253; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2111.36744150; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF69_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2111.36877450; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF70_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2111.36880610; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF74_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2111.36636100; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF75_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2111.36656430; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF76_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2111.36596146; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF82_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2111.36682193; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF87_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2111.36685841; Eh | |||
 | 27-Mar-2025 | pyribenzoxim_CONF88_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2111.36662716; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2061 to 2080 of 5986
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