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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): 861 to 880 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | bispyribac-Na_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84930296; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.85005395; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84928068; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF26_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84928001; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84926006; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84945486; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84885162; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.85051142; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84889402; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84906119; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84882923; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84862560; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF42_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.85052275; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84873058; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84754301; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84852389; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84826584; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84737424; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84825945; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF10_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84650512; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 861 to 880 of 5986
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