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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): 21 to 40 of 7217
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Oct-2022 | ametoctradin_CONF1017_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51092237; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1018_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51151019; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1019_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51094021; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF102_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.50917806; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1020_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51010524; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1021_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51134182; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1022_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51166981; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1023_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51088642; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1024_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51134727; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1025_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51105601; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1026_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51003962; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1027_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51151031; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1028_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51163404; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1029_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51133446; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF103_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51135524; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1030_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51115045; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1031_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.50986580; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1032_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51150685; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1033_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51112239; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1034_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51245967; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 21 to 40 of 7217
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