Lemi Türker

Summary

Affiliation: Middle East Technical University
Country: Turkey

Publications

  1. ncbi request reprint Quantum chemical treatment of nivalenol and its tautomers
    Lemi Türker
    Middle East Technical University, Department of Chemistry, Ankara, Turkey
    J Hazard Mater 153:329-39. 2008
  2. pmc A model study on the possible effects of an external electrical field on enzymes having dinuclear iron cluster [2Fe-2S]
    Lemi Türker
    Department of Chemistry, Middle East Technical University, 06531 Ankara, Turkey
    ScientificWorldJournal 2012:985958. 2012
  3. pmc Tautomerism in 11-hydroxyaklavinone: a DFT study
    Lemi Türker
    Department of Chemistry, Middle East Technical University, Ankara, Turkey
    ScientificWorldJournal 2012:526289. 2012
  4. doi request reprint Tunneling effect and impact sensitivity of certain explosives
    Lemi Türker
    Department of Chemistry, Middle East Technical University, 06531 Ankara, Turkey
    J Hazard Mater 169:819-23. 2009
  5. doi request reprint Contemplation on spark sensitivity of certain nitramine type explosives
    Lemi Türker
    Department of Chemistry, Middle East Technical University, 06531 Ankara Turkey
    J Hazard Mater 169:454-9. 2009
  6. doi request reprint A DFT study on nitrotriazines
    Lemi Türker
    Middle East Technical University, Department of Chemistry, Ankara, Turkey
    J Hazard Mater 167:440-8. 2009
  7. doi request reprint A theoretical study on vomitoxin and its tautomers
    Lemi Türker
    Middle East Technical University, Department of Chemistry, 06531 Ankara, Turkey
    J Hazard Mater 163:285-94. 2009
  8. doi request reprint Computational studies on nitratoethylnitramine (NENA), its tautomers and charged forms
    Lemi Türker
    Middle East Technical University, Department of Chemistry, 06531 Ankara, Turkey
    J Hazard Mater 162:193-203. 2009
  9. ncbi request reprint An ab initio study on ethylenedinitramine and its monovalent ions
    Lemi Türker
    Department of Chemistry, Middle East Technical University, 06531 Ankara, Turkey
    J Hazard Mater 118:67-73. 2005
  10. ncbi request reprint Quantum chemical treatment of cyanogen azide and its univalent and divalent ionic forms
    Lemi Türker
    Middle East Technical University, Department of Chemistry, 06531 Ankara, Turkey
    J Hazard Mater 153:966-74. 2008

Collaborators

  • Sakir Erkoc
  • Hamdi Ozkan
  • Ziya Can
  • Serkan Yavuz
  • Ayşem Uzer
  • Yasemin Tekdemir
  • Erol Erçağ
  • Resat Apak
  • Ali Dişli
  • Yilmaz Yildirir

Detail Information

Publications17

  1. ncbi request reprint Quantum chemical treatment of nivalenol and its tautomers
    Lemi Türker
    Middle East Technical University, Department of Chemistry, Ankara, Turkey
    J Hazard Mater 153:329-39. 2008
    ..The calculations revealed that some of the tautomers are more stable and exothermic than nivalenol. The calculated IR spectra as well as some geometrical and physicochemical properties of the structures considered have been presented...
  2. pmc A model study on the possible effects of an external electrical field on enzymes having dinuclear iron cluster [2Fe-2S]
    Lemi Türker
    Department of Chemistry, Middle East Technical University, 06531 Ankara, Turkey
    ScientificWorldJournal 2012:985958. 2012
    ..Depending on the direction of the field, the chemical reactivity of the model enzyme varies which suggests that an external electric field could, under proper conditions, improve the enzymatic hydrogen production...
  3. pmc Tautomerism in 11-hydroxyaklavinone: a DFT study
    Lemi Türker
    Department of Chemistry, Middle East Technical University, Ankara, Turkey
    ScientificWorldJournal 2012:526289. 2012
    ....
  4. doi request reprint Tunneling effect and impact sensitivity of certain explosives
    Lemi Türker
    Department of Chemistry, Middle East Technical University, 06531 Ankara, Turkey
    J Hazard Mater 169:819-23. 2009
    ....
  5. doi request reprint Contemplation on spark sensitivity of certain nitramine type explosives
    Lemi Türker
    Department of Chemistry, Middle East Technical University, 06531 Ankara Turkey
    J Hazard Mater 169:454-9. 2009
    ..For that purpose certain semi-empirical and DFT calculations have been carried out. Investigations have revealed that the nitramines considered undergo decomposition in the electric field mainly via their anionic states...
  6. doi request reprint A DFT study on nitrotriazines
    Lemi Türker
    Middle East Technical University, Department of Chemistry, Ankara, Turkey
    J Hazard Mater 167:440-8. 2009
    ..According to the results of the calculations, mono-, di- and tri-nitro-substituted derivatives of symmetric 1,3,5-triazine have been found to be more stable than their 1,2,3 and 1,2,4 counterparts...
  7. doi request reprint A theoretical study on vomitoxin and its tautomers
    Lemi Türker
    Middle East Technical University, Department of Chemistry, 06531 Ankara, Turkey
    J Hazard Mater 163:285-94. 2009
    ..Some important geometrical and physicochemical properties and the calculated IR spectra of the systems have also been reported in the study...
  8. doi request reprint Computational studies on nitratoethylnitramine (NENA), its tautomers and charged forms
    Lemi Türker
    Middle East Technical University, Department of Chemistry, 06531 Ankara, Turkey
    J Hazard Mater 162:193-203. 2009
    ..On the other hand, on the basis of homolytic bond dissociation energies (BDE) for ONO(2) bond in the structures, it is clear that the presence of the tautomers in the bulk of NENA somewhat should decrease its sensitivity...
  9. ncbi request reprint An ab initio study on ethylenedinitramine and its monovalent ions
    Lemi Türker
    Department of Chemistry, Middle East Technical University, 06531 Ankara, Turkey
    J Hazard Mater 118:67-73. 2005
    ..Although, the charge development is accompanied by some elongation or contraction of bonds and deviation of bond angles also as compared to the neutral state, no bond rapture occurs...
  10. ncbi request reprint Quantum chemical treatment of cyanogen azide and its univalent and divalent ionic forms
    Lemi Türker
    Middle East Technical University, Department of Chemistry, 06531 Ankara, Turkey
    J Hazard Mater 153:966-74. 2008
    ....
  11. ncbi request reprint Quantum chemical study on 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO) and some of its constitutional isomers
    Lemi Türker
    Middle East Technical University, Department of Chemistry, 06531 Ankara, Turkey
    J Hazard Mater 137:1333-44. 2006
    ..Moreover, aromatic character of NTO and its isomers and tautomers were investigated by performing NICS calculations using the gauge invariant atomic orbital (GIAO) approach at the B3LYP/6-31G(d,p) and B3LYP/cc-pVDZ levels...
  12. ncbi request reprint Ab initio and DFT study on 1,4-dinitroglycoluril configurational isomers: cis-DINGU and trans-DINGU
    Lemi Türker
    Department of Chemistry, Middle East Technical University, 06531 Ankara, Turkey
    J Hazard Mater 137:47-56. 2006
    ....
  13. ncbi request reprint Ab initio and DFT studies on nitrosoguanidine tautomers
    Lemi Türker
    Middle East Technical University, Department of Chemistry, 06531 Ankara, Turkey
    J Hazard Mater 136:418-24. 2006
    ..The nitrosoimine form has the highest HOMO and LUMO energies. Whereas, the nitrosamine form possesses the lowest HOMO and the diazoic acid form has the lowest LUMO energies...
  14. doi request reprint Spectrophotometric and chromatographic determination of insensitive energetic materials: HNS and NTO, in the presence of sensitive nitro-explosives
    Ziya Can
    Istanbul University, Faculty of Engineering, Department of Chemistry, Avcilar, 34320 Istanbul, Turkey
    Talanta 90:69-76. 2012
    ..These simple, low-cost, and versatile methods can be used in criminology, remediation/monitoring of contaminated sites, and kinetic stability modeling of munitions containing desensitized energetic materials...
  15. ncbi request reprint The syntheses of some novel (naphthalen-1-yl-selenyl)acetic acid derivatives
    Serkan Yavuz
    Department of Chemistry, Faculty of Arts and Sciences, Gazi Universitesi, Teknik Okullar, 06500 Ankara, Turkey
    Molecules 10:1000-4. 2005
    ..Some new (naphthalen-1-yl-selenyl)acetic acids derivatives 7a-d have been synthesized by two different methods, using naphthylselenols or naphthylselenocyanates. The structures of the products were investigated by spectroscopic methods...
  16. ncbi request reprint A novel synthesis of bromobenzenes using molecular bromine
    Hamdi Ozkan
    Department of Chemistry, Faculty of Science and Arts, Gazi University, Teknikokullar, 06500 Ankara, Turkey
    Molecules 12:2478-83. 2007
    ..Certain substituted bromobenzenes have been synthesized in acceptable yields using a novel Sandmeyer type reaction. The reactions are relatively quick and possibly proceed via a radical mechanism...
  17. ncbi request reprint Density functional theory calculations for [C(2)H(4)N(2)O(6)]((n)) (n=0, +1, -1)
    Lemi Türker
    Departments of Chemistry, Middle East Technical University, 06531 Ankara, Turkey
    J Hazard Mater 136:164-9. 2006
    ..The calculations reveal that as the charge develops the bond lengths and angles change. In the anionic case charge accumulation causes NO(2) elimination as a result of esteric O-N bond cleavage...