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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): 1801 to 1820 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | metsulfuron-methyl_CONF40_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03881960; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF41_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03864097; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF44_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03993018; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF46_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03825627; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF47_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03836739; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF49_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03919674; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF56_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03714567; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF105_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58846364; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF106_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58845635; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF116_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58904832; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF117_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58827672; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF120_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58915389; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF156_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58831310; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF176_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58833593; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF197_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58714099; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58828216; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58716670; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58709209; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58681380; Eh | |||
 | 27-Mar-2025 | penoxsulam_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2165.58820907; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1801 to 1820 of 5986
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