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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): 2741 to 2760 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | mesosulfuron_CONF309_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87450550; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF310_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87388797; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF311_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87399601; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF312_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87384507; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF313_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87417412; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF314_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87394764; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF315_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87377972; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF316_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87303418; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF331_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87440918; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF332_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87420728; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF333_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87432271; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF334_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87452651; Eh | |||
 | 27-Mar-2025 | mesosulfuron_CONF336_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2407.87440755; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2051.57331606; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2051.57326900; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2051.57299959; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF25_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2051.57351406; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2051.57214253; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF27_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2051.57251332; Eh | |||
 | 27-Mar-2025 | triasulfuron_CONF28_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -2051.57219109; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2741 to 2760 of 5986
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