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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): 1 to 20 of 9512
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Jan-2023 | acetochlor_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02674687; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02800856; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF101_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02689902; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF103_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02689681; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF107_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02687350; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF108_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02684845; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF11_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02710697; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF110_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02679338; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF112_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02464978; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF116_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02759509; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02706752; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF123_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02689979; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02556127; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02503911; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF142_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02442236; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF143_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02442334; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF144_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02558857; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF146_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02450433; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF147_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02602064; Eh | |||
 | 18-Jan-2023 | acetochlor_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1211.02438672; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 9512
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