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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): 2861 to 2880 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | imazalil_CONF32_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09685753; Eh | |||
 | 10-Feb-2022 | imazalil_CONF33_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09645552; Eh | |||
 | 10-Feb-2022 | imazalil_CONF34_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09401057; Eh | |||
 | 10-Feb-2022 | imazalil_CONF35_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09504838; Eh | |||
 | 10-Feb-2022 | imazalil_CONF36_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09645029; Eh | |||
 | 10-Feb-2022 | imazalil_CONF37_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09577705; Eh | |||
 | 10-Feb-2022 | imazalil_CONF39_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09486206; Eh | |||
 | 10-Feb-2022 | imazalil_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09699202; Eh | |||
 | 10-Feb-2022 | imazalil_CONF40_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09582773; Eh | |||
 | 10-Feb-2022 | imazalil_CONF41_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09447595; Eh | |||
 | 10-Feb-2022 | imazalil_CONF44_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09532329; Eh | |||
 | 10-Feb-2022 | imazalil_CONF45_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09504184; Eh | |||
 | 10-Feb-2022 | imazalil_CONF46_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09416894; Eh | |||
 | 10-Feb-2022 | imazalil_CONF47_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09444363; Eh | |||
 | 10-Feb-2022 | imazalil_CONF49_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09426433; Eh | |||
 | 10-Feb-2022 | imazalil_CONF5_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09729969; Eh | |||
 | 10-Feb-2022 | imazalil_CONF50_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09655476; Eh | |||
 | 10-Feb-2022 | imazalil_CONF52_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09462152; Eh | |||
 | 10-Feb-2022 | imazalil_CONF53_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09570963; Eh | |||
 | 10-Feb-2022 | imazalil_CONF54_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09658418; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2861 to 2880 of 4613
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