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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): 2941 to 2960 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | triflusulfuron_CONF712_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11795388; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF713_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11757672; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF714_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11797448; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF715_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11796394; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF722_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11787416; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF723_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11807876; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF724_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11789859; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF725_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11816921; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF728_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11819435; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF759_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11763048; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF762_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11767680; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF763_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11582281; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF764_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11617702; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF765_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11538721; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF771_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11763754; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF772_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11787141; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF773_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11932928; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF774_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11923737; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF775_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11925863; Eh | |||
 | 27-Mar-2025 | triflusulfuron_CONF776_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2137.11966470; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2941 to 2960 of 5986
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