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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): 2801 to 2820 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | triasulfuron_CONF37_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.60831840; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.60891308; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF39_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.60843853; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61076889; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF40_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.60872002; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF41_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.60835737; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF42_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.60818829; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF43_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.60824077; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61101677; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.61104008; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2051.60927454; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF115_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65505377; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF116_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65512130; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF117_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65511015; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF118_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65505190; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF120_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65508425; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF123_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65516260; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF124_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65514761; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF125_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65511386; Eh | |||
 | 27-Mar-2025 | nicosulfuron_CONF129_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1760.65511714; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2801 to 2820 of 5986
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