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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): 41 to 60 of 7217
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Oct-2022 | ametoctradin_CONF1035_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51159817; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1037_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51245710; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1038_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51246402; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1039_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51102242; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF104_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51389365; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1040_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51167174; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1041_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51156024; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1042_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51261654; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1043_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51128885; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1044_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51149282; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1045_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51130118; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1046_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51113245; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1047_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51124350; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1048_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51139327; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1049_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51167295; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF105_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51241324; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1050_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51154429; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1051_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.50882540; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1053_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51110761; Eh | |||
 | 8-Oct-2022 | ametoctradin_CONF1054_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -860.51012740; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 41 to 60 of 7217
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