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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): 1641 to 1660 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | metazosulfuron_CONF63_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80607882; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF65_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80640294; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80490935; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80507991; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80617733; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80312948; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80470216; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF11_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80342036; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80349391; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80336626; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80313438; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80329280; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF19_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80317334; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80317639; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF20_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80384994; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80363879; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF24_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80523195; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80413181; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF27_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80544502; Eh | |||
 | 27-Mar-2025 | metazosulfuron_CONF28_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2350.80547213; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1641 to 1660 of 5986
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