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DOI: 10.19061/iochem-bd-6-170
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Collection's Items (Sorted by Submit Date in Descending order): 21 to 40 of 5517
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Sep-2022 | metsulfuron-methyl_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00846388; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00867070; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00833924; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00832693; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00856697; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00833147; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00853948; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00845332; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF21_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00857935; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00827621; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00858355; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00826136; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF25_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00855299; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00831885; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF27_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00854847; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF28_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00839619; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF29_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00850368; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00880447; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF30_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00846305; Eh | |||
 | 29-Sep-2022 | metsulfuron-methyl_CONF31_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1666.00848867; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 21 to 40 of 5517
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