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DOI: 10.19061/iochem-bd-6-174
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Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 7217
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Oct-2022 | ametoctradin_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.50822465; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.50886497; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF100_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51360825; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1000_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51113917; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1001_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51108234; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1002_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51174399; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1003_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51114146; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1004_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51158131; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1005_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51250919; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1006_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51127846; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1007_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51127531; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1008_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51117139; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1009_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51117640; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF101_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51367240; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1010_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51110227; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1011_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51127697; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1013_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51111844; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1014_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51163474; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1015_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51114006; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1016_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51142278; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 7217
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