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A DFT study on the catalytic ability of aluminum doped graphene for the initial steps of the conversion of methanol to gasoline
Zahra Ebrahimzadeh (Advisor)
Preparation of dopamine-functionalized multi-wall carbon nanotube/poly(amide-imide) composites and their thermal and mechanical properties
H2S Gas Sensor
PhD student-Particles and Interactions
روحي كريق مريم
The effect of curvature of Li-doped polycyclic hydrocarbon on its interaction energy with H2 and H2O: DF-SAPT (DFT) calculation
The effect of curvature of Li-doped polycyclic hydrocarbon on its interaction energy with H2 and H2O: DF-SAPT (DFT) calculation
The effect of curvature of Li-doped polycyclic hydrocarbon on its interaction energy with H2 and H2O: DF-SAPT (DFT) calculation
Yasaman Saeedinik (BSc)
روحي كريق مريم
Using ONIOM calculations to investigate the abilities of simple and nitrogen, boron, sulfur?doped carbon nanotubes in sensing of carbon monoxide
Journal papars
DFT Study of the Possible Mechanisms for Synthesizing α-Cyanophosphonates from β-Nitrostyrenes
Mechanistic details for the reaction of methyl acrylate radical anion: a DFT study