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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): 1781 to 1800 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | metsulfuron-methyl_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03939694; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF47_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03954198; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.04070177; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF56_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03855013; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03941959; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03917132; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03834147; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03814532; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03762889; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03798490; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF20_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03737194; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03944925; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF28_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03875263; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03930719; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF32_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03935075; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF34_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03880873; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF35_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03839219; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF36_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03983311; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03844505; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.03916396; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1781 to 1800 of 5986
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