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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): 1741 to 1760 of 5986
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Mar-2025 | metosulam_CONF160_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2434.69168172; Eh | |||
 | 27-Mar-2025 | metosulam_CONF161_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2434.69257477; Eh | |||
 | 27-Mar-2025 | metosulam_CONF164_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2434.69117553; Eh | |||
 | 27-Mar-2025 | metosulam_CONF165_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2434.69172423; Eh | |||
 | 27-Mar-2025 | metosulam_CONF166_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2434.69076017; Eh | |||
 | 27-Mar-2025 | metosulam_CONF167_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2434.69167902; Eh | |||
 | 27-Mar-2025 | metosulam_CONF182_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2434.69308005; Eh | |||
 | 27-Mar-2025 | metosulam_CONF183_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2434.69322003; Eh | |||
 | 27-Mar-2025 | metosulam_CONF184_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2434.69340753; Eh | |||
 | 27-Mar-2025 | metosulam_CONF198_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2434.69285399; Eh | |||
 | 27-Mar-2025 | metosulam_CONF200_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2434.69289527; Eh | |||
 | 27-Mar-2025 | metosulam_CONF210_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2434.69306566; Eh | |||
 | 27-Mar-2025 | metosulam_CONF96_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2434.69336403; Eh | |||
 | 27-Mar-2025 | metosulam_CONF97_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -2434.69278083; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1666.00870130; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1666.00850713; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1666.00837359; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1666.00827104; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1666.00853948; Eh | |||
 | 27-Mar-2025 | metsulfuron-methyl_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J | -1666.00858355; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1741 to 1760 of 5986
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