Density Functional Theory Studies of Structural and Electronic Properties for Some Complexes

2020 
The various properties of the ground electronic states of Tin complexes using densityfunctional theory (DFT) were calculated by the Lee-Yang-Parr (B3LYP) density functional model withStuttgart Dresden triple zeta SDD by Gaussian 09 W program. In this work, the optimized structures,total energies, electronic properties, and dipole moment were calculated. It has clearly seen, allmolecular structures that have different forms were shown clearly the effect of chemical groups with ametallic atom on the behavior of total energies, electronic properties, and dipole moment.
    • Correction
    • Source
    • Cite
    • Save
    • Machine Reading By IdeaReader
    11
    References
    0
    Citations
    NaN
    KQI
    []