Изображение профиля

Hilal S. Wahab

Hilal S. Wahab
Al-Nahrain University, Ирак

Scopus Profile: http://www.scopus.com/authid/detail.url?authorId=24400241100

Professional (scientific) interests

- Photocatalysis
- Nanosciences
- Environmental Chemistry

Research Fields:

- Photocatalysis
- Computational Chemistry
- Environmental Pollution Chemistry

Qualifications:

2006  Ph.D.,Computational Chemistry,Al-MustansiriaUniversity (Hanover University,Germany),Iraq
1979  M.Sc., Analytical Chemistry,CarletonUniversity(Ottawa),Canada
1975  B.Sc.   Chemistry,Mosul University,Iraq

 Publications (selected):

  1. Hilal S. Wahab “Quantum chemical modeling study of adsorption of benzoic acid on anatase TiO2 nanoparticles” J. Molecular Modeling 18 (2012) 2709-2716.
  2. Hilal S. Wahab “Molecular modeling of the adsorption and initial photocatalytic oxidation step for para-nitrophenol on nano-sized Ti surface . Surface Science 606 (2012) 624-633.
  3. Hilal S. Wahab, Salam H. Ali, Adi M.Abdul Hussein “Adsorption of H2O, CO2, O2, Ti and Cu on graphene: A molecular modeling approach” Int. J of Basic & Applied Sciences 12 (2012) 234-240.
  4. Athinoula Petrou, Andreas D. Koutselos, Hilal S. Wahab, William Clegg, Ross W. Harrington and Richard A. Henderson “Kinetic and Theoretical Studies on the Protonation of [Ni(2-SC6H4N){PhP(CH2CH2PPh2)2}]+: Nitrogen versus Sulfur as the Protonation Site” Inorg. Chem. 50 (2011) 847–857.
  5. Hilal S.Wahab and Andreas D. Koutselos “Comparative study of the adsorption of aromatic pollutants onto TiO2 (100) surface via molecular simulation” Aust. J. Chem. 64 (2011) 1611-1616.
  6. Hilal S.Wahab, Thomas Bredow, Salah M. Aliwi “A Computational study on  the adsorption and ring cleavage of para-chlorophenol on anatase Ti O2 surface” Surface Science 604 (2009) 664.
  7. Hilal S.Wahab and Andreas D. Koutselos "A Computational study on the adsorption and OH initiated photochemical and photocatalytic primary oxidation of aniline" Chemical Physics 358 (2009) 171.
  8. Hilal S.Wahab and Andreas D. Koutselos “Computational modeling of the adsorption and OH initiated photochemical and photocatalytic primary oxidation of nitrobenzene”  J. Molecular Modeling 15 (2009) 1237.
  9. Hilal S.Wahab, Thomas Bredow, Salah M. Aliwi "Computational modeling of the adsorption and photodegradation of 4-chlorophenol on anatase TiO2 particles"J. Molecular Structure:THEOCHEM 863 (2008) 84.
  10. Hilal S.Wahab, Thomas Bredow, Salah M. Aliwi “Computational investigation of water and oxygen adsorption on the anatase TiO2 ­(100) surface” J. Molecular Structure:THEOCHEM 868 (2008) 101.
  11. Hilal S.Wahab, Thomas Bredow, Salah M. Aliwi “MSINDO quantum chemical modeling study of water molecule adsorption at nano-sized anatase TiO2 surfaces” Chemical Physics 354 (2008) 50.
  12. Hilal S.Wahab, Thomas Bredow, Salah M. Aliwi “Computational investigation of the adsorption and photocleavage of chlorobenzene on anatase TiO2 surfaces"Chemical Physics 353 (2008) 93.
  13. H.S.Wahab and C.L.Chakrabarti "Studies on the sensetivity of yttrium by electrothermal atomization from metallic and metal-carbide surfaces of a heated graphite atomizer in atomic absorption spectrometry", Spectrochimica Acta 36B(no 5),463(1981).
  14. H.S.Wahab and C.L.Chakrabarti " Mechanism of yttrium atom formation in electrothermal atomization from metallic and metal-carbide surfaces of a heated graphite atomizer in atomic absorption spectrometry" , Spectrochimica Acta 36B(no 5),475(1981).