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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): 881 to 900 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | bispyribac-Na_CONF12_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84663611; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF13_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84588959; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF14_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84798097; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF16_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84806800; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84813132; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF23_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84807652; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF24_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84804986; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF3_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84683381; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF33_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84779540; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF36_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84771844; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF5_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84666696; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF55_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84913569; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF58_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84877301; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF6_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84679238; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF7_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84661437; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF8_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84673603; Eh | |||
 | 27-Mar-2025 | bispyribac-Na_CONF9_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1555.84643386; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67161967; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67124499; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2187.67015046; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 881 to 900 of 5986
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