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DOI: 10.19061/iochem-bd-6-199
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Collection's Items (Sorted by Submit Date in Descending order): 21 to 40 of 9512
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Jan-2023 | acetochlor_CONF150_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02620901; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF151_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02618793; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF153_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02669978; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF154_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02669265; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF155_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02666322; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02566336; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02713547; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02505950; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF193_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02646879; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02677853; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF204_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02661136; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF205_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02462480; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF206_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02355486; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF207_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02590908; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF208_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02592232; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF212_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02529454; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF216_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02546580; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02494511; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02528625; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF25_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02640889; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 21 to 40 of 9512
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