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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): 1761 to 1780 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | metsulfuron-methyl_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1666.00850368; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1666.00880447; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF30_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1666.00846305; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF36_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1666.00855615; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF42_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1666.00867521; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF43_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1666.00867776; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF44_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1666.00858895; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF45_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1666.00870388; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.04079366; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF10_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.04088763; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.04042147; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.04060816; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.04144603; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.04154746; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.04108882; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.04151148; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.04089778; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.04098082; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF44_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.04149536; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1666.04088735; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1761 to 1780 of 5986
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