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  • Homo Lumo - Ppt.cluster2

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    Tesfamariam Setargew Mesfin
    3 views65 pages

    Original Title

    Homo Lumo.ppt.Cluster2

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    © All Rights Reserved
    Download as PPTX, PDF, TXT or read online from Scribd
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    3 views65 pages

    Homo Lumo - Ppt.cluster2

    Uploaded by

    Tesfamariam Setargew Mesfin

    Copyright:

    © All Rights Reserved
    Download as PPTX, PDF, TXT or read online from Scribd
    Flag for inappropriate content
    of 65

    ZnO_Cluster Structure_2x2x2

    Yzx Xyz
    Zxy

    ZnO Cluster

    Original input
    At Gases ZnO_geom0pt_2x2x2

    Yzx Zxy Xyz

    HOMO
    At Gases ZnO_geom0pt_2x2x2

    Yzx zxy xyz

    LUMO
    At n-Hexane Solvent_ZnO_G0ptim_2x2x2

    Yzx Xyz
    Zxy

    HOMO
    At n-Hexane Solvent_ZnO_G0ptim_2x2x2

    Yzx Zxy Xyz

    LUMO
    At Cyclohexane Solvent_ZnO_Geo0ptim_2x2x2

    Yzx Zxy Xyz

    HOMO
    At Cyclohexane Solvent_ZnO_Geo0ptim_2x2x2

    Yzx Zxy Xyz

    LUMO
    At Dichloromethane Solvent ZnO_Geo0ptim_2x2x2

    Yzx Zxy Xyz

    HOMO
    At Dichloromethane Solvent ZnO_Geo0ptim_2x2x2

    Yzx Zxy Xyz

    LUMO
    At Acetonitrile Solvent_ZnO_ Geo0pt_2x2x2

    Yzx
    Zxy Xyz

    HOMO
    At Acetonitrile Solvent_ZnO_ Geo0pt_2x2x2

    Yzx Zxy Xyz

    LUMO
    At Water Solvent_ZnO_Ge0pti_2x2x2

    Yzx Zxy Xyz

    HOMO
    At Water Solvent_ZnO_Ge0pti_2x2x2

    Yzx Zxy Xyz

    LUMO
    ZnO_Cluster Structure_2x2x3

    Yzx Zxy Xyz

    ZnO Cluster
    Original input
    At Gases_ZnO_Geo0pt_2x2x3

    Zxy Xyz
    Yzx

    LUMO
    At Gases_ZnO_Geo0pt_2x2x3

    Zxy Xyz
    Yzx

    LUMO
    At n-Hexane Solvent_ZnO_G0ptim_2x2x3

    Yzx Zxy Xyz

    HOMO
    At n-Hexane Solvent_ZnO_G0ptim_2x2x3

    Yzx Zxy Xyz

    LUMO
    At Cyclohexane Solvent_ZnO_Geo0pti_2x2x3

    Xyz
    Yzx Zxy

    HOMO
    At Cyclohexane Solvent_ZnO_Geo0pti_2x2x3

    Yzx Zxy Xyz

    LUMO
    At Dichloromethane Solvent_ZnO_Ge0pti_2x2x3

    Yzx Zxy Xyz

    HOMO
    At Dichloromethane Solvent_ZnO_Ge0pti_2x2x3

    Yzx Zxy Xyz

    LUMO
    At Acetonitrile Solvent_ZnO_Geopti_2x2x3

    Yzx Zxy Xyz

    HOMO
    At Acetonitrile Solvent_ZnO_Geopti_2x2x3

    Yzx Zxy Xyz

    LUMO
    At Water Solvent_ZnO_Geo0pti_2x2x3

    Xyz
    Yzx Zxy

    HOMO
    At Water Solvent_ZnO_Geo0pti_2x2x3

    Zxy Xyz
    Yzx

    LUMO
    ZnO_Cluster Structure_2x2x4

    Yzx Zxy Xyz

    ZnO Cluster
    Original input
    At Gases_ZnO_Geo0pt_2x2x4

    Yzx Zxy Xyz

    HOMO
    At Gases_ZnO_Geo0pt_2x2x4

    Yzx Zxy Xyz

    LUMO
    At n-Hexane Solvent_ZnO_G0ptim_2x2x4

    Yzx Zxy Xyz

    HOMO
    At n-Hexane Solvent_ZnO_G0ptim_2x2x4

    Yzx Zxy Xyz

    LUMO
    At Cyclohexane Solvent_ZnO_Geo0pti_2x2x4

    Yzx Zxy Xyz

    HUMO
    At Cyclohexane Solvent_ZnO_Geo0pti_2x2x4

    Yzx Zxy Xyz

    LUMO
    At Dichloromethane Solvent _ZnO_Geo0p_2x2x4

    Yzx Zxy Xyz

    HUMO
    At Dichloromethane Solvent _ZnO_Geo0p_2x2x4

    Zxy
    Yzx Xyz

    LUMO
    At Acetonitrile Solvent_ZnO_Geo0pti_2x2x4

    Yzx Zxy Xyz

    HOMO
    At Acetonitrile Solvent_ZnO_Geo0pti_2x2x4

    Zxy Xyz
    Yzx

    LUMO
    At Water Solvent_ZnO_Geo0pti_2x2x4

    Xyz
    Yzx Zxy

    HOMO
    At Water Solvent_ZnO_Geo0pti_2x2x4

    Yzx Zxy Xyz

    LUMO
    ZnO_Cluster Structure_2x2x5

    Yzx Zxy
    Xyz

    Cluster
    ZnO

    Original input
    At Gases_ZnO_Geo0pti_2x2x5

    Yzx Zxy
    Xyz

    HOMO
    At Gases_ZnO_Geo0pti_2x2x5

    Yzx Zxy Xyz

    LUMO
    At n-Hexane Solvent_ZnO_Geo0pti_2x2x5

    Yzx Zxy Xyz

    HOMO
    At n-Hexane Solvent_ZnO_Geo0pti_2x2x5

    Yzx Zxy Xyz

    LUMO
    At Cyclohexane Solvent_ZnO_Geo0pti_2x2x5

    Yzx Zxy Xyz

    HOMO
    At Cyclohexane Solvent_ZnO_Geo0pti_2x2x5

    Yzx Zxy
    Xyz

    LUMO
    At Dichloromethane Solvent _ZnO_Geo0pti_2x2x5

    Yzx Zxy
    Xyz

    HOMO
    At Dichloromethane Solvent _ZnO_Geo0pti_2x2x5

    Yzx Zxy Xyz

    LUMO
    At Acetonitrile Solvent_ZnO_Geo0pti_2x2x5

    Yzx Zxy Xyz

    HOMO
    At Acetonitrile Solvent_ZnO_Geo0pti_2x2x5

    Yzx Zxy Xyz

    LUMO
    At Water Solvent _ZnO_Geo0pti_2x2x5

    Yzx Zxy Xyz

    HOMO
    At Water Solvent _ZnO_Geo0pti_2x2x5

    Yzx Zxy Xyz

    LUMO
    ZnO_Cluster Structure_2x2x6

    Yzx Zxy
    Xyz

    ZnO Cluster
    Original input
    At Gases_ZnO_Geo0pti_2x2x6

    Yzx Zxy Xyz

    HOMO
    At Gases_ZnO_Geo0pti_2x2x6

    Yzx Zxy Xyz

    LUMO
    At n-Hexane Solvent_ZnO_Geo0pti_2x2x6

    Yzx Zxy
    Xyz

    HOMO
    At n-Hexane Solvent_ZnO_Geo0pti_2x2x6

    Yzx Xyz
    Zxy

    LUMO
    At Cyclohexane Solvent_ZnO_Geo0pti_2x2x6

    Yzx Zxy Xyz

    HOMO
    At Cyclohexane Solvent_ZnO_Geo0pti_2x2x6

    Yzx Zxy Xyz

    LUMO
    At Dichloromethane Solvent _ZnO_Geo0pti_2x2x6

    Zxy
    Yzx Xyz

    HOMO
    At Dichloromethane Solvent _ZnO_Geo0pti_2x2x6

    Yzx Zxy Xyz

    LUMO
    At Acetonitrile Solvent_ZnO_Geo0pti_2x2x6

    Yzx Zxy Xyz

    HOMO
    At Acetonitrile Solvent_ZnO_Geo0pti_2x2x6

    Yzx Zxy Xyz

    LUMO
    At Water Solvent _ZnO_Geo0pti_2x2x6

    Yzx Zxy
    Xyz

    HOMO
    At Water Solvent _ZnO_Geo0pti_2x2x6

    Yzx Zxy Xyz

    LUMO

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