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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): 2781 to 2800 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | imazalil_CONF20_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10329727; Eh | |||
 | 10-Feb-2022 | imazalil_CONF21_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10699365; Eh | |||
 | 10-Feb-2022 | imazalil_CONF22_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10643519; Eh | |||
 | 10-Feb-2022 | imazalil_CONF23_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10657554; Eh | |||
 | 10-Feb-2022 | imazalil_CONF25_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10471304; Eh | |||
 | 10-Feb-2022 | imazalil_CONF27_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10551929; Eh | |||
 | 10-Feb-2022 | imazalil_CONF29_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10574874; Eh | |||
 | 10-Feb-2022 | imazalil_CONF3_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10499913; Eh | |||
 | 10-Feb-2022 | imazalil_CONF30_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10480153; Eh | |||
 | 10-Feb-2022 | imazalil_CONF31_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10558770; Eh | |||
 | 10-Feb-2022 | imazalil_CONF32_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10541346; Eh | |||
 | 10-Feb-2022 | imazalil_CONF33_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10564460; Eh | |||
 | 10-Feb-2022 | imazalil_CONF34_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10342343; Eh | |||
 | 10-Feb-2022 | imazalil_CONF35_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10445212; Eh | |||
 | 10-Feb-2022 | imazalil_CONF36_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10548546; Eh | |||
 | 10-Feb-2022 | imazalil_CONF37_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10490474; Eh | |||
 | 10-Feb-2022 | imazalil_CONF4_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10539002; Eh | |||
 | 10-Feb-2022 | imazalil_CONF40_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10489753; Eh | |||
 | 10-Feb-2022 | imazalil_CONF44_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10466596; Eh | |||
 | 10-Feb-2022 | imazalil_CONF45_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.10466496; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2781 to 2800 of 4613
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