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DOI: 10.19061/iochem-bd-6-123
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Collection's Items (Sorted by Submit Date in Descending order): 2721 to 2740 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | imazalil_CONF21_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08391209; Eh | |||
 | 10-Feb-2022 | imazalil_CONF22_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08337634; Eh | |||
 | 10-Feb-2022 | imazalil_CONF23_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08364849; Eh | |||
 | 10-Feb-2022 | imazalil_CONF25_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08122873; Eh | |||
 | 10-Feb-2022 | imazalil_CONF29_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08132376; Eh | |||
 | 10-Feb-2022 | imazalil_CONF3_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08162354; Eh | |||
 | 10-Feb-2022 | imazalil_CONF30_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08090095; Eh | |||
 | 10-Feb-2022 | imazalil_CONF31_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08156382; Eh | |||
 | 10-Feb-2022 | imazalil_CONF33_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08166382; Eh | |||
 | 10-Feb-2022 | imazalil_CONF34_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08427769; Eh | |||
 | 10-Feb-2022 | imazalil_CONF35_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08173653; Eh | |||
 | 10-Feb-2022 | imazalil_CONF37_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08124634; Eh | |||
 | 10-Feb-2022 | imazalil_CONF4_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08173021; Eh | |||
 | 10-Feb-2022 | imazalil_CONF40_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08094960; Eh | |||
 | 10-Feb-2022 | imazalil_CONF44_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08134940; Eh | |||
 | 10-Feb-2022 | imazalil_CONF45_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08163907; Eh | |||
 | 10-Feb-2022 | imazalil_CONF46_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08395459; Eh | |||
 | 10-Feb-2022 | imazalil_CONF5_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08391245; Eh | |||
 | 10-Feb-2022 | imazalil_CONF50_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08409006; Eh | |||
 | 10-Feb-2022 | imazalil_CONF52_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.08082985; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2721 to 2740 of 4613
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