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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): 1281 to 1300 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | flumetsulam_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1484.89165338; Eh | |||
 | 27-Mar-2025 | flumetsulam_CONF13_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1484.89225433; Eh | |||
 | 27-Mar-2025 | flumetsulam_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1484.89171656; Eh | |||
 | 27-Mar-2025 | flumetsulam_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1484.89040706; Eh | |||
 | 27-Mar-2025 | flumetsulam_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1484.89171279; Eh | |||
 | 27-Mar-2025 | flumetsulam_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1484.88989912; Eh | |||
 | 27-Mar-2025 | flumetsulam_CONF9_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1484.89087296; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -957.05863101; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -957.05680850; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -957.05919946; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -957.05490304; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -957.05635148; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -957.05526459; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -957.05598045; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -957.05553258; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF27_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -957.05474594; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -957.05461330; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF30_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -957.05470417; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF31_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -957.05570690; Eh | |||
 | 27-Mar-2025 | imazamethabenz-methyl_m_CONF32_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -957.05597227; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1281 to 1300 of 5986
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