All Stories

  1. Towards the crystal structure of thymine: An intermolecular force field development and parallel global cluster optimizations

    Article • The Journal of Chemical Physics, December 2019, American Institute of Physics

    Adem Tekin

  2. First-Principles Crystal Structure Prediction of Cu(I)-TCNQ Polymorphs

    Article • The Journal of Physical Chemistry C, December 2019, American Chemical Society (ACS)

    Adem Tekin

  3. Symmetry-adapted perturbation theory potential for the adenine dimer

    Article • Physical Chemistry Chemical Physics, January 2018, Royal Society of Chemistry

    Adem Tekin

  4. The intermolecular dimer potential for guanine

    Article • The Journal of Chemical Physics, October 2017, American Institute of Physics

    Adem Tekin

  5. Interaction of curcumin in a drug delivery system including a composite with poly(lactic-co-glycolic acid) and montmorillonite: a density functional theory and molecular dynamics study

    Article • Journal of Materials Chemistry B, January 2017, Royal Society of Chemistry

    Adem Tekin, Assistant Professor deniz karatas

  6. Computational Screening of Dual-Cation Metal Ammine Borohydrides by Density Functional Theory

    Article • The Journal of Physical Chemistry C, June 2016, American Chemical Society (ACS)

    Adem Tekin

  7. Aggregation behavior in unsymmetrically substituted metal-free phthalocyanines

    Article • Chemical Physics, February 2015, Elsevier

    Adem Tekin

  8. First principles potential for the cytosine dimer

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Adem Tekin

  9. Discovery of New Dual Cation Metal Ammine Borohydrides: A Computational Study

    Article • January 2015, Springer Science + Business Media

    Adem Tekin

  10. Computational Screening of Dual Cation Metal Ammine Borohydrides

    Article • January 2015, Springer Science + Business Media

    Adem Tekin

  11. Computational Design of Dual Cation Ammine Metal Borohydrides: LiTi(BH4)5(NH3)X

    Article • January 2015, Springer Science + Business Media

    Adem Tekin

  12. Synthesis and aggregation behavior of zinc phthalocyanines substituted with bulky naphthoxy and phenylazonaphthoxy groups: An experimental and theoretical study

    Article • Synthetic Metals, March 2014, Elsevier

    Adem Tekin

  13. First-Principles Structure Prediction of Dual Cation Ammine Borohydrides: LiMg(BH4)3(NH3)x

    Article • January 2014, Springer Science + Business Media

    Adem Tekin

  14. Fundamental Open Questions on Engineering of “Super” Hydrogen Sorption in Graphite Nanofibers: Relevance for Clean Energy Applications

    Article • American Journal of Analytical Chemistry, January 2014, Scientific Research Publishing, Inc,

    Adem Tekin

  15. Ab initio crystal structure prediction by combining symmetry analysis representations and total energy calculations. An insight into the structure of Mg(BH4)2

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Adem Tekin

  16. Adsorption of quaternary amine surfactants and their penetration into the intracrystalline cavities of sepiolite

    Article • New Journal of Chemistry, January 2013, Royal Society of Chemistry

    Adem Tekin, Assistant Professor deniz karatas

  17. Towards a Spectroscopic and Theoretical Identification of the Isolated Building Blocks of the Benzene–Acetylene Cocrystal

    Article • ChemPhysChem, November 2012, Wiley

    Adem Tekin

  18. Lithium Dihydroborate: First-Principles Structure Prediction of LiBH2

    Article • Inorganic Chemistry, August 2012, American Chemical Society (ACS)

    Adem Tekin

  19. Erratum to “Ab-initio crystal structure prediction. A case study: NaBH4” [J. Solid State Chem. 184 (2011) 1622–1630]

    Article • Journal of Solid State Chemistry, June 2012, Elsevier

    Adem Tekin

  20. Intermolecular interactions in nitrogen-containing aromatic systems

    Article • Theoretical Chemistry Accounts, February 2012, Springer Science + Business Media

    Adem Tekin

  21. First principles potential for the acetylene dimer and refinement by fitting to experiments

    Article • The Journal of Chemical Physics, December 2011, American Institute of Physics

    Adem Tekin

  22. Ab-initio crystal structure prediction. A case study: NaBH4

    Article • Journal of Solid State Chemistry, July 2011, Elsevier

    Adem Tekin

  23. A multifaceted approach to hydrogen storage

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Tejs Vegge, Adem Tekin

  24. Constructing simple yet accurate potentials for describing the solvation of HCl/waterclusters in bulk helium and nanodroplets

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Marco Masia, Adem Tekin

  25. First-Principles Determination of the Ground-State Structure ofLiBH4

    Article • Physical Review Letters, May 2010, American Physical Society (APS)

    Adem Tekin

  26. Ammonia dynamics in magnesium ammine from DFT and neutron scattering

    Article • Energy & Environmental Science, January 2010, Royal Society of Chemistry

    Tejs Vegge, Adem Tekin

  27. First-principles determination of the ground-state structure of Mg(BH4)2

    Article • Chemical Physics Letters, October 2009, Elsevier

    Adem Tekin

  28. Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project

    Article • The Journal of Chemical Physics, July 2009, American Institute of Physics

    Dr Pekka Koskinen, Adem Tekin

  29. Ab initio and matrix isolation study of the acetylene–furan dimer

    Article • Chemical Physics, January 2008, Elsevier

    Adem Tekin, Luis Alberto Montero Cabrera

  30. How accurate is the density functional theory combined with symmetry-adapted perturbation theory approach for CH–π and π–π interactions? A comparison to supermolecular calculations for the acetylene–benzene dimer

    Article • Physical Chemistry Chemical Physics, January 2007, Royal Society of Chemistry

    Adem Tekin

  31. GLOBAL GEOMETRY OPTIMIZATION OF SILICON CLUSTERS EMPLOYING EMPIRICAL POTENTIALS, DENSITY FUNCTIONALS, AND AB INITIO CALCULATIONS

    Article • Journal of Theoretical and Computational Chemistry, December 2005, World Scientific Pub Co Pte Lt

    Adem Tekin

  32. Global geometry optimization of small silicon clusters with empirical potentials and at the DFT level

    Article • Physical Chemistry Chemical Physics, January 2004, Royal Society of Chemistry

    Adem Tekin

  33. Structural Effects in the Addition–Fragmentation Reaction of Allylic Onium Salts

    Article • Macromolecular Theory and Simulations, September 2002, Wiley

    Adem Tekin