Name : Teerakiat Kerdcharoen

Degree : B.Sc. (Chemistry), M.Sc. (Physics Chemistry),

Dr.rer.nat. (Physical Chemistry), University of Innsbruck, Austria

Office : Room K412, 4th floor, Kanchanapisek Building

Tel : 0 2201 5770

E-mail :

WebPage :

Research Interest : Molecular modeling

Selected Publications :

  1. Kladsomboon S, Pratontep S, Puntheeranurak TKerdcharoen T. An artificial nose based on M-porphyrin (M = Mg, Zn) thin film and optical spectroscopy. J Nanosci Nanotechno 2011 Dec;11(12):10589-94
  2. Lorwongtragool P, Wisitsoraat A, Kerdcharoen T*. An electronic nose for amine detection based on polymer/SWNT-COOH nanocomposite. J Nanosci Nanotechno 2011 Dec;11(12):10454-10459.
  3. Vergnat C, Uttiya S, Pratontep S, Kerdcharoen T, Legrand JF, Brinkmann M*. Oriented growth of zinc(II) phthalocyanines on polycarbonate alignment substrates: Effect of substrate temperature on in-plane orientation. Synthetic Met 2011 Feb;161(3-4):251-258.
  4. Wanprakhon S, Tongraar A*, Kerdcharoen T. Hydration structure and dynamics of K+ and Ca2+ in aqueous solution: Comparison of conventional QM/MM and ONIOM-XS MD simulations. Chem Phys Lett 2011 Dec;517(4-6):171-175.
  5. Hongsith N, Wongrat E, Kerdcharoen T, Choopun S*. Sensor response formula for sensor based on ZnO nanostructures. Sensors Actuat B-Chem 2010 Jan;144(1):67-72.
  6. Nerungsi C, Wanitchang P, Sahasithiwat S, Sadorn K, Kerdcharoen T, Thongpanchang T*. Organic electroluminescence devices based on anthracene sulfide derivatives. Tetrahedron Lett 2010 Dec;51(49):6392-95.
  7. Sansukcharearnpon A, Wanichwecharungruang S*, Leepipatpaiboon N, Kerdcharoen T, Arayachukeat S. High loading fragrance encapsulation based on a polymer-blend: preparation and release behavior. Int J Pharm 2010 May 31;391(1-2):267-73.
  8. Traiphol R*, Potai R, Charoenthai N, Srikhirin T, Kerdcharoen T, Osotchan T. Effects of chain cnformation and chain length on degree of aggregation in assembled particles of conjugated polymer in solvents-nonsolvent: A spectroscopic study. J Polym Sci Pol Phys 2010 Apr;48(8):894-904.
  9. Tuntikulwattana S, Mitrevej A, Kerdcharoen T, Williams DB, Sinchaipanid N*. Development and optimization of micro/nanoporous osmotic pump tablets. AAPS PharmSciTech 2010 Jun;11(2):924-35.
  10. Wongchoosuk C, Wisitsoraat A, Phokharatkul D, Tuantranont A, Kerdcharoen T*. Multi-walled carbon nanotube-doped tungsten oxide thin films for hydrogen gas sensing. Sensors 2010 Aug;10(8):7705-7715.
  11. Wongchoosuka C, Wisitsoraat A, Tuantranont A, Kerdcharoen T*. Portable electronic nose based on carbon nanotube-SnO2 gas sensors and its application for detection of methanol contamination in whiskeys. Sensor Actuat B-Chem 2010 Jun;147(2):392-99.
  12. Traiphol R*, Charoenthai N, Manorat P, Pattanatornchai T, Srikhirin T, Kerdcharoen T, Osotchan T. Photophysical change of poly(9,9-di(2-ethylhexyl)fluorene) and its copolymer with anthracene in solvent-non-solvent: Roles of interchain interactions on the formation of non-emissive and emissive aggregates. Synthetic Met 2009 Jun;159(12):1224-1233.
  13. Wongchoosuk C, Choopun S, Tuantranont A, Kerdcharoen T*. Au-doped zinc oxide nanostructure sensors for detection and discrimination of volatile organic compounds. Mater Res Innov 2009 Sep;13(3):185-188.
  14. Wongchoosuk C, Lutz M, Kerdcharoen T*. Detection and classification of human body odor using an electronic nose. Sensors 2009 Sep;9(9):7234-7249.
  15. Wongchoosuk C, Udomvech A, Kerdcharoen T*. The geometrical and electronic structures of open-end fully functionalized single-walled carbon nanotubes. Curr Appl Phys 2009 Mar;9(2):352-8.
  16. Chamlek O, Pratontep S, Kerdcharoen T, Osotchan T. Spectroscopys studies of iron phthalocyanine thin films. Adv Mater Res 2008;55-57:301-304.
  17. Krongsuk S, Kerdcharoen T, Borodin A, Kiselev M. Computer simulation study of a porphyrazine monolayer at a water-gas interface: Structure and molecular orientation. J Korean Phys Soc May 2008;52(5):1657-1660.
  18. Udomvech A, Kerdcharoen T*. Electronic structure of straight and T-shape singled-wall carbon nanotube junctions: a molecular quantum mechanics study. Adv Mat Res 2008;55-57:565-568.
  19. Udomvech A, Kerdcharoen T*. Theoretical investigation of lithium-atom insertion into ultra-small diameter carbon nanotubes. J Korean Phys Soc May 2008;52(5):1350-1354.
  20. Uttiya S, Kerdcharoen T, Vatanayon S, Pratontep S*. Effect of structural transformation on the gas-sensing properties of phthalocyanine thin films. J Korean Phys Soc May 2008;52(5):1575-1579.
  21. Wongchoosuk C, Krongsuk S, Kerdcharoen T*. Theoretical investigations on the tip-functionalised carbon nanotubes interacting with water. Int J Nanoparticles 2008;1(2):136-51.
  22. Traiphol R, Charoenthai N, Srikhirin T, Kerdcharoen T, Osotchan T, Maturos T. Chain organization and photophysics of conjugated polymer in poor solvents: Aggregates, agglomerates and collapsed coils. Polymer Jan 2007;48(3):813-826.
  23. Traiphol R*, Srikhirin T, Kerdcharoen T, Osotchan T, Scharnagl N, Willumeit R. Influences of local polymer-solvent ¶-¶-interaction on dynamics of phenyl ring rotation and its role on photophysics of conjugated polymer. Eur Polym J Feb 2007;43(2):478-87.
  24. Aramwit P*, Kerdcharoen T, Qi H. In vitro plasma compatibility study of a nanosuspension formulation. PDA J Pharm Sci Tech Jul 2006;60(4):211-217.
  25. Krongsuk S, Kerdcharoen T, Hannongbua S. The hydration structure of 18-crown-6/K+ complex as studied by Monte Carlo simulation using ab initio fitted potential. J Mol Graph Model Sep 2006;25(1):55-60.
  26. Krongsuk S, Kerdcharoen T, Kiselev M, Hannongbua S*. Solvation structures of the 18-crown-6 in carbon tetrachloride as studied by Monte-Carlo simulation based on ab initio potential models. Chem Phys May 2006;324(2-3):447-454.
  27. Tongraar A*, Kerdcharoen T, Hannongbua S. Simulations of liquid ammonia based on the combined quantum mechanical/molecular mechanical (QM/MM) approach. J Phys Chem A Apr 2006;110(14):4924-9.
  28. Traiphol R*, Sanguansat P, Srikhirin T, Kerdcharoen T, Osotchan T. Spectroscopic study of photophysical change in collapsed coils of conjugated polymers: Effects of solvent and temperature. Macromolecules Feb 2006;39(3):1165-72.
  29. Kanintronkul Y, Srikhirin T*, Angsuthanasombat C, Kerdcharoen T*. Insertion behavior of the Bacillus thuringiensis Cry4Ba insecticidal protein into lipid monolayers. Arch Biochem Biophys Oct 2005;442(2):180-6.
  30. Suramitr S, Kerdcharoen T, Srikhirin T, Hannongbua S*. Electronic properties of alkoxy derivatives of poly(para-phenylenevinylene), investigated by time-dependent density functional theory calculations. Synthetic Metals Oct 2005;155(1):27-34.
  31. Udomvech A, Kerdcharoen T*, Osotchan T. First principles study of Li and Li+ adsorbed on carbon nanotube: Variation of tubule diameter and length. Chem Phys Lett Apr 2005;406(1-3):161-6.
  32. Wutticharoenmongkol P, Supaphol P*, Srikhirin T, Kerdcharoen T, Osotchan T. Electrospinning of polystyrene/poly(2-methoxy-5-(2'-ethylhexyloxy)-1,4-phenylene vinylene) blends. J Polym Sci Pol Phys Jul 2005;43(14):1881-91.
  33. Angsuthanasombat C*, Uawithya P, Leetachewa S, Pornwiroon W, Ounjai P, Kerdcharoen T, Katzenmeier G, Panyim S. Bacillus thuringiensis Cry4A and Cry4B mosquito-larvicidal proteins: Homology-based 3D model and implications for toxin activity. J Biochem Mol Biol May 2004;37(3):304-313.
  34. Kerdcharoen T, Birkenheuer U, Kruger S, Woiterski A, Rosch N. Implementation of a quantum mechanics/molecular mechanics approach in the parallel density functional program PARAGAUSS and applications to model copper thiolate clusters. Theor Chem Acc 2003;109(6):285-97.
  35. Kerdcharoen T*, Morokuma K. Combined quantum mechanics and molecular mechanics simulation of Ca2+/ammonia solution based on the ONIOM-XS method: Octahedral coordination and implication to biology. J Chem Phys 2003;118(19):8856-62.
  36. Kiselev M, Ivlev D, Puhovski Y, Kerdcharoen T*. Preferential solvation and elasticity of the hydrogen bonds network in tertiary butyl alcohol-water mixture. Chem Phys Lett 2003;379(5-6):581-587.
  37. Krongsuk S, Kerdcharoen T, Hannongbua S*. How many water molecules in the hydration shell of 18-crown-6? Monte Carlo simulations based on ab initio-derived potential energy surface J Phys Chem B 2003;107(17):4175-81.
  38. Udomvech A, Kerdcharoen T*, Parasuk V, Tantirungrotecha Y, Osotchan T. Electronic structure of the finite-sized single-walled carbon nanotubes. Int J Nanosci 2003;2(3):141-152.
  39. Kerdcharoen T*, Morokuma K. ONIOM-XS: an extension of the ONIOM method for molecular simulation in condensed phase. Chem Phys Lett 2002;355(3,4):257-62.
  40. Kiselev M, Noskov S, Puhovski Y, Kerdcharoen T, Hannongbua S. The study of hydrophobic hydration in supercritical water-methanol mixtures. J Mol Graph Model  2001;19(5):412-6.
  41. Krishtal S, Kiselev M, Puhovski Y, Kerdcharoen T, Hannongbua S, Heinzinger K. Study of the hydrogen bond network in sub- and supercritical water by molecular dynamics simulations. Z Naturforsch A  2001;56(8):579-84.
  42. Kerdcharoen T*, Rode BM. What is the solvation number of Na+ in ammonia? An ab initio QM/MM molecular dynamics study. J Phys Chem A  2000; 104(30):7073-8.
  43. Kiselev M, Kerdcharoen T, Hannongbua S, Heinzinger K. The structure of supercritical ammonia as studied by molecular dynamics simulations. Chem Phys Lett  2000;327(5-6):425-8.
  44. Kerdcharoen T, Hannongbua S. Ab initio study of ion-ammonia complexes: geometry and many-body interactions. Chemical Physics Letters 1999;310(3,4):333-341.
  45. Aree T, Kerdcharoen T, Hannongbua S. Charge transfer, polarizability and stability of li-C60 complexes. Chemical Physics Letters. 1998 ;285(3-4):221-5.


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