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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): 1081 to 1100 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | cloransulam-methyl_CONF56_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70370435; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF57_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70332495; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70112710; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF67_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70457394; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF68_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70562696; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF69_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70547751; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70565180; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF73_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70570012; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF76_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70566966; Eh | |||
 | 27-Mar-2025 | cloransulam-methyl_CONF82_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2187.70569421; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37649314; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF101_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37566562; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF105_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37584792; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF107_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37592630; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF114_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37586574; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37627987; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37557737; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF30_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37510215; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF33_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37535722; Eh | |||
 | 27-Mar-2025 | diclosulam_CONF47_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2419.37467755; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1081 to 1100 of 5986
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