Heterogeneous Catalysis

  • Preparation of Heterogeneous Catalysts in Micro and Nano Scale

  • Catalysts Characterization by XRD, SEM, TEM, BET, TGA, DSC, TPD, FT-IR, UV-Vis, etc.

  • Surface Study of Catalysts by Theoretical Calculations

Catalytic Organic Reactions

  • Dehydration of Alcohols to Alkenes and Ethers

  • Dehydrogenation of Alcohols to Aldehydes and Ketones

  • Esterification of Carboxylic Acids by Alcohols

  • Conversion of Methanol to Gasoline

  • Production of Energetic Fuels

  • Evaluation of Catalytic Activity and Selectivity by GC-MS, GC and H NMR

Catalytic Reaction Mechanisms

  • Theoretical Investigation of Catalytic Reaction Mechanisms

  • Thermodynamic and Kinetic Studies of Reactions

  • Geometry Optimization of Starting Materials, Intermediates, Transition States and Products

Nanostructures

  • Design and Development of Novel Nanostructures for Gas Storage, Sensing Device and Drug Delivery

Computational Chemistry

  • Molecular Orbital (MO) Theory

  • Density Functional Theory (DFT) and Natural Bond Orbital (NBO) Calculations

  • Conformational Analysis

  • Steric, Electronic (Conjugation, Resonance, Hyperconjugation), and Polar (Inductive, Field, Solvent) Effects

  • Stereochemistry

  • Intramolecular and Intermolecular Interactions

  • Reactive Intermediates

  • Explosives and Energetic Compounds

  • Calculated Spectral Properties