Research Topics: 
  • Geometry Structure and IR Absorbation Spectra Analysis of Biologically Interested Organic Molecules;
  • Intramolecular Hydrogen-Bond Study in Tetramethyl 3,7 - dihydroxybicyclo[3.3.1]nona-2,6 - diene - 2,4,6,8 - tetracarboxylate;
  • Density Functional Theory Study of Freon and Halogenated Silane Molecules: CF2HCl, CF2Cl2, CFCl3, Si28F2H2, Si29F2H2, Si30F2H2;
  • Ab-inito and DFT Study of Molecular and Supramolecular Assembly;
  • Basis Set Superposition Error (BSSE); Applications in Intermolecular Interaction Calculation: Geometry Optimization, Second Order BSSE-free Energy Decomposition, Force Constants and Intermolecular Harmonic Vibrational Frequency Calculation;
  • Chemical Hamiltonian Approach (CHA) = BSSE-free Hamilton Model and Their Application for Small and Biologically Interested Molecules: HF - HF, H2O - H2O, NH3 - H2O, NH3 - NH3, Formamide - Water, Formamide - Formamide Complexies;
  • Theoretical Study of Weakly Bonded Hydrogen Donor-Acceptor Systems: Acetylene - HF, Acetylene - HCl, Acetylene - HCN, Acetylene - Acetylene;
  • Theoretical IR Spectroscopy - Computer Simulation of IR and Multiphoton Absorbation Spectra for Symmetricaly and Asymmetricaly Top Poliatomic Molecules: CF2HCl, CF2DCl, CF2Cl2, CFCl3, Si28F2H2, Si29F2H2, Si30F2H2;