Hawraa M. Esaed

Transition State interaction between Tin-Dioxide and Water using the Density Functional Theory (DFT)

     Tin dioxide Sn10O16 clusters reaction with water H2O is examined utilizing the transition state method and Density Functional Theory (DFT) with (B3LYP) level and two basis set SDD for heavy atoms such as (Sn) and 6-311G** for light atoms, such as (O, H). Gaussian 09W program is used to calculate electronic propert...