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DOI: 10.19061/iochem-bd-6-121
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Collection's Items (Sorted by Submit Date in Descending order): 461 to 480 of 9778
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | difenoconazole_RR_CONF10_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66640363; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF101_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66961956; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF106_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66949741; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF107_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66900268; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF108_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66876522; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF109_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66938506; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF11_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66568184; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF112_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66976015; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF12_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66573576; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF13_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66803084; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF16_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66621626; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF17_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66542623; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF18_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66655089; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF2_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66816073; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF20_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66531080; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF22_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66648489; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF23_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66505473; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF24_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66533685; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF25_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66553109; Eh | |||
 | 22-Dec-2021 | difenoconazole_RR_CONF26_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66793518; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 461 to 480 of 9778
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