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Resumé
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Ugur Bozkaya
Group Position: Visiting Scientist
Currently: Assistant Professor, Ataturk University
Office: Phone:
Mailing Address: Fax:
     E-mail: ugrbzky@gmail.com
    Personal Page: Link
   
 
Educational Background
  • B.S., Chemistry, Gazi University, 2003
  • Ph.D., Chemistry, Middle East Technical University, 2011
PhD. Thesis

     THEORETICAL STUDY OF THERMAL REARRANGEMENTS OF 2-ALKYLIDENECYCLOPENTA-1,3-DIYL BIRADICALS

Awards
  • The Scientific and Technological Research Council of Turkey (TUBITAK) Scientist Development Group Natural Sciences Undergraduate Fellowship, 2001-2003
  • Academic Staff Development Program Fellowship (OYP-1624), 2004-2011
  • TUBITAK Ph.D. Research Fellowship (BIDEB-2211), 2006-2011
  • TUBITAK Abroad Research Fellowship (BIDEB-2214), 2009-2010
Research Interests

     Development and implementation of electronic structure theories.

 
Representative Publications

``Thermal Rearrangements of 1-Ethynyl-2-methylcyclopropane: A Computational Study,'' U. Bozkaya and I. Ozkan, J. Phys. Chem. A 116, 3274-3281 (2012) (doi: 10.1021/jp3000575)

``Thermal Aromatizations of 2-Vinylmethylenecyclopropane and 3-Vinylcyclobutene,'' U. Bozkaya and I. Ozkan, J. Org. Chem. 77, 5714-5723 (2012) (doi: 10.1021/jo300877w)

``Theoretical Study of Thermal Rearrangements of 1-Hexen-5-yne, 1,2,5-Hexatriene, and 2-Methylenebicyclo[2.1.0]pentane,'' U. Bozkaya and I. Ozkan, J. Org. Chem. 77, 2337-2344 (2012) (doi: 10.1021/jo202645k)

``Dihydroxylation of Olefins Catalyzed by Zeolite-confined Osmium(0) Nanoclusters: an Efficient and Reusable Method for the Preparation Of 1,2-cis-diols,'' O. Metin, N. A. Alp, S. Akbayrak, A. Bicer, M. S. Gultekin, S. Ozkar, and U. Bozkaya, Green Chem. 14, 1488-1492 (2012) (doi: 10.1039/c2gc16616j)

``The Barrier Height, Unimolecular Rate Constant, and Lifetime for the Dissociation of HN2,'' U. Bozkaya, J. M. Turney, Y. Yamaguchi, and H. F. Schaefer, J. Chem. Phys. 132, 064308 (2010) (doi: 10.1063/1.3310285)

``The Ten Chemically Transparent Dinitronaphthalene Isomers and Their Radical Anions,'' U. Bozkaya and H. F. Schaefer, Mol. Phys. 108, 2491-2509 (2010) (doi: 10.1080/00268976.2010.507225)

``Network Structure and Swelling Behavior of Poly(acrylamide/crotonic Acid) Hydrogels in Aqueous Salt Solutions,'' T. Caykara, U. Bozkaya, and O. Kantoglu, J. Polym. Sci. Pt. B-Polym. Phys. 41, 1656-1664 (2003) (doi: 10.1002/polb.10500)

``The Lowest-lying Electronic Singlet and Triplet Potential Energy Surfaces for the HNO-NOH System: Energetics, Unimolecular Rate Constants, Tunneling and Kinetic Isotope Effects for the Isomerization and Dissociation Reactions,'' U. Bozkaya, J. M. Turney, Y. Yamaguchi, and H. F. Schaefer, J. Chem. Phys. 136, 164303 (2012) (doi: 10.1063/1.4704895)

``Potential Energy Surfaces for Rearrangements of Berson Trimethylenemethanes,'' U. Bozkaya and I. Ozkan, J. Phys. Chem. A 116, 2309-2321 (2012) (doi: 10.1021/jp211518f)

``Orbital-Optimized Coupled-Electron Pair Theory and Its Analytic Gradients: Accurate Equilibrium Geometries, Harmonic Vibrational Frequencies, and Hydrogen Transfer Reactions,'' U. Bozkaya and C. D. Sherrill, J. Chem. Phys. 139, 054104 (2013) (doi: 10.1063/1.4816628)

``Analytic Energy Gradients for the Orbital-Optimized Second-Order Møller-Plesset Perturbation Theory,'' U. Bozkaya and C. D. Sherrill, J. Chem. Phys. 138, 184103 (2013) (doi: 10.1063/1.4803662)

``Quadratically Convergent Algorithm for Orbital Optimization in the Orbital-Optimized Coupled-Cluster Doubles Method and in Orbital-Optimized Second-Order Møller-Plesset Perturbation Theory,'' U. Bozkaya, J. M. Turney, Y. Yamaguchi, H. F. Schaefer, and C. D. Sherrill, J. Chem. Phys. 135, 104103 (2011) (doi: 10.1063/1.3631129)

``Symmetric and Asymmetric Triple Excitation Corrections for the Orbital-optimized Coupled-cluster Doubles Method: Improving Upon CCSD(T) and CCSD(T)(Lambda): Preliminary Application,'' U. Bozkaya and H. F. Schaefer, J. Chem. Phys. 136, 204114 (2012) (doi: 10.1063/1.4720382)

``Orbital-optimized Third-order Møller-Plesset Perturbation Theory and Its Spin-component and Spin-opposite Scaled Variants: Application To Symmetry Breaking Problems,'' U. Bozkaya, J. Chem. Phys. 135, 224103 (2011) (doi: 10.1063/1.3665134)


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