Scientific Publications


Guest Editor of  The Israel Journal of Chemistry, for a  special issue on the subject: "non-adiabatic processes at solid surfaces", Israel J. Chemistry, 45 27 (2005).


Chapters and invited Review papers

1.      J.C. Polanyi and Y. Zeiri, ''Dynamics of Adsorbate Photochemistry'' Chapter 25 in ''Laser Spectroscopy and Photochemistry on Metal Surfaces'' Edited by H.L. Dai and W. Ho (1996).

2.      Y. Zeiri, ''Theoretical Studies of Surface Diffusion and of Photo-induced Surface Processes'' Thematic issue of Computer Physics Communications on Gas-Surface Dynamics, Edited by E. Vilallonga and H. Rabitz, Vol. 80, 200-241 (1994).

3.     Micha Asscher and Yehuda Zeiri “Surface processes Induced by collisions” J. Phys. Chem. B., Feature Article, 107 6903 (2003).

4.      Faina Dubnikova, Ronnie Kosloff and Yehuda Zeiri "Rational detection schemes for TATP" NATO advanced research workshop, in H. Schubert and A. Kuznetsov (eds.) Detection and disposal of improvised explosives, P. 105-112 (Springer, the Ntherlands, 2006).


Refereed articles in scientific journals

1.     Y. Zeiri and M. Shapiro, ''Semi-Empirical Potential Surfaces for Electron Transfer

Reactions: The Li + FH and Li + F2 Reactions'', Chem. Phys. 31 217 (1978).


2.     M. Shapiro and Y. Zeiri, ''Semi-Empirical Potential Surfaces for the Alkali

Hydrogen-Halide Reactions'', J.Chem. Phys. 70 5264 (1979).


3.     Y. Zeiri and M. Shapiro, ''Semi-Empirical Potential Surfaces for the Alkali       Halogen Molecule Reactions'', J. Chem. Phys. 75 1170 (1981).


4.      R.B. Walker, Y. Zeiri and M. Shapiro, ''A Quantum Mechanical Study of the                     collinear Li + FH Reaction'', J. Chem. Phys. 74 1763 (1981).


5.     Y. Zeiri, M. Shapiro and E. Pollak, ''A Classical Mechanical Study of the LiFH

System'', Chem. Phys. 60 239 (1981).


6.     A. Redondo, Y. Zeiri and W.A. Goddard III, ''Classical Stochastic Diffusion

Theory for Desorption of Atoms and Molecules from Solid Surfaces'', Phys. Rev.

Lett.491847 (1982).


7.     Y. Zeiri and G.G. Balint-Kurti, ''Theory of Alkali Halide Photofragmentation-

Potential Energy Curves and Transition Dipole Moments'', J. Mol. Spec. 99 1



8.     Y. Zeiri, A. Redondo and W.A. Goddard III, ''Classical Stochastic Diffusion

Theory for Desorption from Solid Surfaces'', Surf. Sci. 131 221 (1983).


9.     J.N. Allison, Y. Zeiri, A. Redondo and W.A. Goddard III, ''Rates of Molecular

Desorption from Solid Surfaces: Adsorption Site Dependence CO on Ni(100)'', Chem.

Phys. Lett. 97387 (1983).


10. Y. Zeiri, R. Tenne and M. Shapiro, ''Dissociative Electron Transfer on Ionic Surfaces'', Chem. Phys. Lett. 99 11 (1983).


11. A. Redondo, Y. Zeiri, J.J. Low and W.A. Goddard III, ''Application of transition State Theory to Desorption from Solid Surfaces: Amonia on Ni(111)'', J. Chem. Phys. 79 6410 (1983).


12.  Y. Zeiri, R. Tenne and M. Shapiro, ''Adsorption of Ions on Semiconductor

Surfaces. I. Silver and Halide Ions on Silver Halides'', J. Chem. Phys. 80 5283 (1984).


13.  A. Redondo, Y. Zeiri and W.A. Goddard III, ''Rates of Desorption from Solid

Surfaces: Coverage Dependence'', Surf. Sci. 136 41 (1984).


14. Y. Zeiri, A. Redondo and W.A. Goddard III, ''Desorption Rates at Electrode-Electrolyte Interfaces'', J. Electrochem. Soc. 131 1639 (1984).


15. W.A. Goddard III, J.J. Low, B. Olafson, A. Redondo, Y. Zeiri, M. Steigerwald, E.A. Carter, J.N. Allison and R. Chang, ''The Role of Oxygen and Other Chemisorbed Species on Surface Processes for Metals and Semiconductors: Approaches to Dynamical Studies of         Surface Processes'', J. Electrochem. Soc. 130-c 123c (1983).


16. M. Asscher, G.A. Somorjai and Y. Zeiri, ''Vibrational Excitation and Deexcitation Rates of Molecules Adsorbed on Metal Surfaces'', J. Chem. Phys. 81 1507 (1984).


17. A. Redondo, Y. Zeiri and W.A. Goddard III, ''Classical Stochastic Diffusion Theory for Thermal Desorption from Solid Surfaces'', J. Vac. Sci. Technol. B2 550 (1984).


18. V. Levy-Duval, M. Shapiro, Y. Zeiri and R. Tenne, ''Adsorption of Atomic Hydrogen on LiF Surfaces'', Proceedings of the 17 Jerusalem Symposium on Quantum Chemistry and Biochemistry Eds. B. Pullman, J. Jortner, A. Nitzan and B. Gerber, P. 149 (D. Reidel Publishing Company, 1984).


19. Y. Zeiri, E.S. Hood, A. Redondo and S. Solomon, ''Nonequilibrium Distributions in Reactive Systems'', Phys. Rev. Lett. 55 634 (1985).


20. Y. Zeiri, J.J. Low and W.A. Goddard III, ''A Theoretical Study of Collision induced Desorption Spectroscopy from Si(111) Surfaces'', J. Chem. Phys. 84 2408 (1986).


21. M. Shapiro and Y. Zeiri, ''Theory of Laser Catalyzed Reaction: I. Potential surfaces and Transition Dipoles in the Li + HCl Reaction'', J. Chem. Phys. 85 6449 (1986).


22. J. Bloch and Y. Zeiri, ''Laser Induced Morphology Changes in Thin Copper films'', J. Appl. Phys. 61 2637 (1987).


23. J. Bloch and Y. Zeiri, ''Laser Annealing of Copper and Silicon Thin Films'', J. Vac. Sci. Technol. A5 1831 (1987).


24. Y. Zeiri, ''Effective Equation of Motion for Gas-Solid Interactions'', J.             Chem. Phys. 86 7181 (1987).


25. I. NoorBatcha, R.R. Lucchese and Y. Zeiri, ''Monte Carlo Simulations             of Gas-Phase Collisions in Rapid Desorption of Molecules from Surfaces'', J. Chem. Phys. 86 5816 (1987).


26. Y. Zeiri, ''Laser Induced Thermal Desorption: A Theoretical Study'', J. Chem. Phys, 88 3981 (1988).


27. A. Kinrot, J. Bloch and Y. Zeiri, ''Thermal Analysis of Laser Induced Thin Film Melting and Evaporation'', J. Phys. D, Appl. Phys. 21 975 (1988).


28. J. Bloch, Y. Zeiri and A. Venkert, ''Solidification Mechanisms of Laser Annealed Thin Copper Films: Dual Phase Formation'', Appl. Phys. Lett., 52 874 (1988).


29. I. NoorBatcha, R.R. Lucchese and Y. Zeiri, ''Effects of Gas-Phase Collisions on Particles Rapidly Desorbed from Surfaces'', Phys. Rev. B36 4978 (1987).


30. J. Bloch, N. Shamir and Y. Zeiri, ''Electron Auger Spectroscopy of CdCl Thin Films During Electron Beam Irradiation'', Surf. Sci., 202 227 (1988).


31. I. NoorBatcha, R.R. Lucchese and Y. Zeiri, ''Anisotropic Translational Energy Distribution Due to Gas-Phase Collisions in Rapid Desorption of Molecules from Surfaces'', Surf. Sci., 200 113 (1988).


32. J. Bloch and Y. Zeiri, ''Rapid Thermal Desorption of Di-atomic Molecules: A Theoretical Study'', Surf. Sci. 213 195 (1989).


33. I. NoorBatcha, R.R. Lucchese and Y. Zeiri, ''Effects of Gas-Phase Collisions in Rapid Desorption of Molecules from Surfaces in the Presence of Coadsorbates'', J. Chem. Phys., 89 5251 (1988).


34. J. Bloch, N. Shamir and Y. Zeiri, ''The Interaction of an Electron Beam with CdCl Thin Film'', Appl. Phys. Lett., 52 1136 (1988).


35. Y. Zeiri, ''Theoretical Study of Collision Induced Desorption: N2 on W(100)'', Surf. Sci., 231 404 (1990).


36. Y. Zeiri, U. Atzmony, J. Bloch and R.R. Lucchese, ''Monte-Carlo Simulation of Laser Induced Chemical Vapor Deposition'', J. Appl. Phys., 69 4110 (1991).


37. Y. Zeiri and R. Kosloff, ''A Theoretical Study of Electron Hole Pair Formation Due to the Collision of an Atom with a Solid Surface'', J. Chem. Phys., 93 6890 (1990).


38. Y. Zeiri and R.R. Lucchese, ''Collision of Hyperthermal Atoms with a Solid Surface: I. Energy Dissipation in the Solid'', J. Chem. Phys., 94 4055 (1991).


39. Y. Zeiri and R.R. Lucchese, ''Collision Induced Desorption: II. Direct             and Indirect Collider-Adsorbate Interactions'', Surf. Sci., 264 197 (1992).


40. J. Bloch, Y. Zeiri and R.R. Lucchese, ''A Theoretical Study of Laser-Induced Chemical Vapor Deposition'' Surf. Sci., 257 402 (1991).


41. D. Cohen, Y. Zeiri and M. Mintz, ''Model Calculations of Hydrogen Absorption on Oxide Coated Metals: Effects of Surface and Diffusion Parameters'' J. Alloys Comp. 184 11 (1992).


42. D. Cohen and Y. Zeiri, ''A Theoretical Study of the Surface Diffusion of Large Molecules: I. n-alkane-type Chains on W(100)'' J. Chem. Phys., 97 1531 (1992).


43. D. Cohen and Y. Zeiri, ''Molecular Dynamics Study of the Surface Diffusion of n-alkane Like Adsorbates: II. Role of Chain Stiffness'' Surf. SCi. 274 173 (1992).


44. R. Kosloff and Y. Zeiri, ''A Theoretical Study of Hydrogen Diffraction Following Photodissociation of Adsorbed Molecules'' J. Chem. Phys. 97 1719 (1992).


45. V.J. Barclay, D.B. Jack, J.C. Polanyi and Y. Zeiri, ''Dynamics of Surface-Aligned Pohotochemistry (Theory): II. Localised H-Atom Scattering in the HBr(ad)/LiF(001) + h$\nu $ System'' J. Chem. Phys., 97 9458 (1992)


46. V.J. Barclay, J.C. Polanyi, Y. Zeiri and R. Kosloff, ''Dynamics of Surface-Aligned Photochemistry: III. A Quantum Mechanical Study of the Photodissociation of HBr Adsorbed on LiF(001)'' J. Chem. Phys., 98 9185 (1993)


47. V.J. Barclay, D.B. Jack, J.C. Polanyi and Y. Zeiri, ''Dynamics of Surface-Aligned Photochemistry (Theory): IV. H-Atom Reactions in the HBr(ad)/LiF(001) + hn System'' J. Phys. Chem., 97 12541 (1993).


48. R.V. Weaver, Y. Zeiri and T. Uzer, '' Competition Between Adsorbate fragmentation and Desorption on Laser-Heated Surfaces: A Stochastic Trajectory Study'' J. Chem. Phys., 98 5059 (1993).


49. V.J. Barclay, W.-H. Hung, J.C. Polanyi, G. Zhang and Y. Zeiri, ''Photochemistry of Adsorbed Molecules Part 13.-Localised Atomic Scattering in the Photolysis of HI/LiF(001)'' Faraday Discuss. Chem. Soc. 96 129 (1993).


50. Y. Zeiri, ''Molecular Dynamics Study of the Surface Diffusion of Large Adsorbates: III. Role of Adsorbate Shape'' Can. J. Chem. 72 813 (1994); J.C. Polanyi Special Issue.


51. Y. Zeiri, ''Prediction of the Lowest Energy Structure of Clusters using             Genetic Algorithm'' Phys. Rev. E51 R2769 (1995).


52. Y. Zeiri, E. Fattal and R. Kosloff, ''Application of Genetic Algorithm to the Calculation of Bound States and Local Density Approximations'' J. Chem. Phys. 102 1859 (1995).


53. V.J. Barclay, W.-H. Hung, W.J. Keogh, R. Kuhnemuth, J.C. Polanyi, G. Zhang, Y. Zeiri, D.R. Jennison and Y.S. Li “Photochemistry of Adsorbed Molecules, XV. Localised Atomic Scattering in the Photolysis of HI/LiF(001) and HI/NaF(001)”, J. Chem. Phys., 105 5005 (1996).


54. R. Baer, Y. Zeiri and R. Kosloff, “The Influence of Dimensionality on Deep Tunneling Rates: Astudy Based on the Hydrogen-Nickel System”, Phys. Rev. B 54 R5287 (1996).


55. Y. Zeiri, “Prediction of the Lowest Energy Structure of Clusters using Genetic Algorithm”, Comp. Phys. Comm. 103 28 (1997).


56. R. Baer, Y. Zeiri, R. Kosloff, “Hydrogen transport in nickel(111)”, Phys. Rev. B55 10952 (1997)


57. R. Baer, Y. Zeiri and R. Kosloff, “Quantum diffusion of Hydrogen and Deuterium on Ni(100)”, Surf. Sci. Lett., 411 L783 (1998).


58. L. Romm, Y. Zeiri and M. Asscher, “Collision induced desorption of N2 from Ru(001)”, J. Chem. Phys., 108 8605 (1998).


59. Y. Zeiri, “Structure and Dynamics of Cl and Br Ions and Atoms in Xe Clusters”, J. Phys. Chem. A 102 2785 (1998).


60. G. Katz, Y. Zeiri and R. Kosloff, “Non adiabatic charge transfer process of oxygen on metal surfaces”, Surf. Sci., 425 1 (1999).


61. Y. Zeiri, G. Katz, R. Kosloff, M.S. Topaler, D.G. Truhlar and J.C. Polanyi, “Quantum Mechanism in the photodissociation of NaFH complex: A challenge to semiclassical analysis”, Chem. Phys. Lett., 300 523 (1999).


62. L . Romm, M. Asscher and Y. Zeiri, “Molecular dynamics simulations of collision-induced desorption. I. Low coverage N2 on Ru(001)”, J. Chem. Phys., 1103153 (1999).


63. L. Romm, M. Asscher and Y. Zeiri, “Collision induced migration of adsorbates on surfaces”, J. Chem. Phys. 110 11023 (1999).


64. G. Katz, R. Kosloff and Y. Zeiri, “A theoretical study of hole induced desorption”, J. Chem. Phys., 111 7593 (1999).


65. Y. Zeiri, “Collision induced desorption by hot atoms: desorption of O2 from Ag(110)”, J. Chem. Phys., 112 3408 (2000).


66. G.R. Darling, Y. Zeiri and R. Kosloff, “Charge transfer reactions in atom scattering from ionic surface: A time-dependent wavepacket approach” Faraday Discussion 117 41 (2000).


67. Ronnie Kosloff, Gil Katz and Yehuda Zeiri, “Dynamics of charge transfer states on metal surfaces: the competition between reactivity and quenching”, Faraday Discussion 117 291 (2000).


68. Micha Asscher, Leonid Romm and Yehuda Zeiri, “Collision induced processes at the gas-surface interface” Colloids and Surfaces (Israel-Poland conference), A208 187 (2002).


69. Yehuda Zeiri “Tracer surface diffusion at high pressures: molecular dynamics study”, J. Chem. Phys., 113 3868 (2000).


70. F. Dubnikova, R. Kosloff, Y. Zeiri and Z. Karpas, “A novel approach to detection of triacetone triperoxide (TATP): its structure and its complexes with ion” J. Phys. Chem. A, 106 4951 (2002).


71. G. Katz, Y. Koichi, Y. Zeiri and R. Kosloff, “The Fourier method for tri-atomic systems in quest of the optimal coordinate system” Physical Chemistry Chemical Physics, Journal of Chemical Physics, 116 4403 (2002).


72. Gil Katz, Yehuda Zeiri and Ronnie Kosloff, “Quantum dissipative model for the collision induced ionization of I2 molecule over a diamond surface”, Chem. Phys. Lett., 358. 284 (2002).


73. Gil Katz, Yehuda Zeiri and Ronnie Kosloff, “Three dimensional quantum time dependent study of the photodissociation dynamics of NaFH/D”, Chem. Phys. Lett., 359 453 (2002).


74. Gil Katz, Yehuda Zeiri and Ronnie Kosloff, "Abstractive dissociation of oxygen over Al(111): A non-adiabatic quantum model" J. Chem. Phys., 120 3931 (2004).


75. G.R. Darling, R. Kosloff and Y. Zeiri, “Time-Dependent Quantum calculations of negative ion formation in scattering of atoms from Alkali-Halide surfaces”, Surf. Sci., 528 84 (2003)..


76. Marcello Binetti, Olaf Weibe, Eckart Hasselbrink, Gil Katz, Ronnie Kosloff and Yehuda Zeiri, "The role of nonadiabatic pathways and molecular rotations in the oxygen abstraction reaction on the Al(111) surface" Chem. Phys. Lett. 373 366 (2003).


77. F. Dubnikova, R. Kosloff, J. Almog, Y. Zeiri, R. Boese, H. Itzhaky, A. Alf and E. Keinan "Decomposition of Triacetone Triperoxide is an entropic explosion" J. Am. Chem. Soc., 127 1146 (2005). “Science” Editors’ choice as “paper of the week in chemistry”, Science 307 320 (2005).


78. Orli Aviam, Gabi Bar-Nes, Yehuda Zeiri and Alex Sivan, "Accelerated biodegradation of cement by sulfur-oxidizing bacteria as a bioassay for evaluating the immobilization of low-level radioactive waste" Applied and Environmental Microbiology, 70 6031 (2004).


79. S. Jorgensen, F. Dubnikova, Y. Zeiri, R. Kosloff, Y. Lilach and M. Asscher, “Theoretical modeling of steric effect in electron induced desorption: CH3Br/O/Ru(001)”, J. Chem. Phys. B 108, 14056 (2004).


80. Gil Katz, Yehuda Zeiri, and Ronnie Kosloff "Non Adiabatic Charge Transfer Process of Oxygen on Metal Surfaces", Israel J, Chemistry, 45 27 (2005).

81. Adri C.T. van Duin , Yehuda Zeiri, Faina Dubnikova, Ronnie Kosloff, and William A. Goddard III "Atomistic-scale simulations of the initial chemical events in the thermal initiation of triacetonetriperoxide (TATP)", J. Am. Chem.Soc., 127, 11053 (2005).


82. Gil Katz, Yehuda Zeiri, and Ronnie Kosloff “Role of Vibrationally Excited NO in Promoting Electron Emission When Colliding with a Metal Surface: A Nonadiabatic Dynamic Model, J. Phys. Chem. 109, 18876 (2005).


83. Irena  Efremenko and Yehuda Zeiri, “Adsorption of explosive molecules on hair surface” , J. Phys. Chem. B, in press.


84. Revital Cohen, Yehuda Zeiri, Elhanan Wurzberg, and Ronnie Kosloff,| "Mechanism of Thermal Unimolecular Decomposition of TNT (2,4,6-Trinitrotoluene): A DFT Study" J. Phys. Che. A 111 11074 (2007).


85. Merav Fisher, Gabi Bar-Nes, Yehuda Zeiri and Alex Sivan, "The effect of silica fume on biodegradation of cement paste and its capacity to immobilize strontium during exposure to microbial sulfur oxidation", Biodegradation, DOI 10.1007/s10532-007-9138-2.


86. Gabriela Bar-Nes, Amnon Katz Yael Peled and Yehuda Zeiri "The combined effect of radiation and carbonation on the immobilization of Sr and Cs ions in cementitious pastes" Materials and Structures DOI 10.1617/s11527-007-9348-4.


87. J. Oxley, J. Smith, J. Brady, F. Dubnikova, R. Kosloff, L. Zeiri, and Y. Zeiri "Raman and Infrared Fingerprint Spectroscopy of Peroxide-Based Explosives", Applied Spectroscopy 62(8) 833 (2008).


88. Brina Brauer,, Faina Dubnikova, Yehuda Zeiri, Ronnie Kosloff, R. Benny Gerber " Vibrational spectroscopy of triacetone triperoxide (TATP): Anharmonic fundamentals, overtones and combination bands", Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, A 71 1438 (2008).


89. C. Levi, G. J. Halász, Á. Vibók, I. Bar, Y. Zeiri, R. Kosloff, and M. Baer, "An intraline of conical intersections for methylamine", J. Chem. Phys. 128 244302 (2008).


90. G. Bar-Nes, A. Katz, Y. Peled, Y. Zeiri "The mechanism of cesium immobilization in densified silica-fume blended cement pastes" Cement and Concrete Res. 38 667 (2008).


91. C. Levi, G. J. Halász, Á. Vibók,  I. Bar,  Y. Zeiri,  R. Kosloff  and  M. Baer "A Novel Intra-line of Conical Intersections for Methylamine: A Theoretical Study" Int. J. Quantum Chem. 109, 2482–2489 (2009).


92. Levi, R. Kosloff, Y. Zeiri, and I. Bar " Time-dependent quantum wave-packet description of H and D atom tunneling in dissociation of methylamine and methylamine-d2", J. chem.. Phys., 131, 064302 (2009).


93. Ran Marom, Chen Levi, Tal Weiss, Salman Rosenwaks, Yehuda Zeiri, Ronnie Kosloff and Ilana Bar “Quantum Tunneling of Hydrogen Atom in Dissociation of Photoexcited Methylamine” J. Phys. Chem. A 114, 9623–9627 (2010).


94. Arcady P. Gershanik and Yehuda Zeiri "Sublimation Rate of TNT Microcrystals in Air" J. Phys. Chem. A, 114, 12403–12410 (2010)


95. G. Bar-Nes, Y. Peled, M. Arbel-Haddad, Y. Zeiri and  A. Katz “The effect of high salt concentration on the integrity of silica-fume blended cementitious matrices for waste immobilization applications” Materials and Structures 44 291-297 (2011) DOI 10.1617/s11527-010-9627-3.


96. Paz Elia, Amnon Azoulay anf Yehuda Zeiri “On the efficiency of water soluble antioxidants” Ultrasonics Sonochemistry, doi:10.1016/j.ultsonch.2011.01.001.

97. Naomi Rom, Sergey V. Zybin, Adri C.T. van Duin, William A. Goddard III, Yehuda Zeiri, Gil Katz, and Ronnie Kosloff "Density dependent liquid Nitromethane decomposition: MD simulations based on ReaxFF" 115 10181–10202 (2011).

98. Faina Dubnikova, Ronnie Kosloff, Jimmie C. Oxley, James L. Smith and Yehuda Zeiri "Role of metal ions in the destruction of TATP: theoretical considerations", J. Phys. Chem. A, 115 10565-75 (2011).

99. Arcady P .Gershanika and Yehuda Zeiri "Sublimation rate of energetic materials in air: RDX and PETN", Propellants, Explosives, Pyrotechnics, 37 207 – 214 (2012).

100. Moriel Pinchas, Shmaryahu Hos and Yehuda Zeiri, "Nano - Molecular Springs: How High Will it Jump?", Computational and Theoretical Chemistry, 977 55–61 (2011).

101. Morag Am-Shallem, Yehuda Zeiri, Sergey V. Zybin, and Ronnie Kosloff "Molecular dynamics simulations of weak detonations", Phys. Rev. E 84 061122 (2011)

102. Leila Zeiri, Katya Rechav, Ze'ev Porat and Yehuda Zeiri "Silver particles deposition on Porous Silicon as SERS active substrate", Appl. Spect., 66 294-299 (2012)

103. Jimmie C. Oxley, James L. Smith, Louis J. Kirschenbaum, Suvarna Marimiganti, Irena Efremenko, Raya Zach, and Yehuda Zeiri, "Accumulation of Explosives in Hair Part 3: Binding Site", J. Forensic Sci, 57 623-35 (2012).

104. Yevgeny Zakon, N. Gabriel Lemcoff, Abraham Marmur and Yehuda Zeiri, "The adhesion of standard explosives particles to model surfaces", J. Phys. Chem. C, 116 22815?22822 (2012).

105. H. Sela, Z. Karpas, H. Cohen, Y. Zakon, Y. Zeiri "Preparation of stable standards of biological tissues for laser ablation analysis", International Journal of Mass Spectrometry, 307 142-148 (2011).

106. H. Sela, Z. Karpas, H. Cohen, A. Tal and Y. Zeiri "Trace Element Concentration in Hair Samples as an Indicator of Exposure of Population in the Negev, Israel", Biol Trace Elem. Res., DOI 10.1007/s12011-013-9794-5 (2013).

107. Naomi Rom, Barak Hirshberg, Yehuda Zeiri, David Furman, Sergey V. Zybin, William A. Goddard III and Ronnie Kosloff "First Principles Based Reaction Kinetics for Decomposition of Hot Dense Liquid TNT from ReaxFF Multiscale Reactive Dynamics Simulations", J. Phys. Chem. C| J. Phys. Chem. C, 117 21043?21054 (2013).

108. G. Katz, S. Zybin, W. A. Goddard III, Y. Zeiri and R. Kosloff "Direct MD Simulations of Terahertz Absorption and 2-D Spectroscopy Applied to Explosive Crystals" J. Phys. Chem. Lett., 5 772 (2014).

109. David Furman, Ronnie Kosloff, Faina Dubnikova, Sergey V. Zybin, William A. Goddard III, Naomi Rom, Barak Hirshberg and Yehuda Zeiri "Decomposition of Condensed Phase Energetic Materials: Interplay between Uni- and Bimolecular Mechanisms" J. Am. Chem. Soc., 136 4192-4200 (2014).

110. Elia, P., Zach, R., Hazan, S., Kolusheva, S., Porat, Z. & Zeiri, Y. Green synthesis of Gold nanoparticles using plant extracts as reducing agents, International Journal of Nanomedicine,, 9 4007–4021 (2014).

111. Sever Aviv, Abed-El-Kader Amir, Matana Yosef, Gopas Jacob and Zeiri Yehuda “Biomarkers for Detection and Monitoring of B16 Melanoma in Mouse Urine and Feces”, Journal of Biomarkers, Volume 2015, Article ID 841245,

112. Amir Abd ElQader, David Liberman Yonat Shemer Avni, Natali Svobodin, Tsilia Lazarovitch, Orli Sagi, Yehuda Zeiri "Volatile Organic Compounds generated by cultures of bacteria and viruses associated with respiratory infections" Biomedical Chromatography, (2015) DOI:10.1002/bmc.3494.

113. Hagit Sela, Hagit Cohen, Paz Elia, Raya Zach, Zeev Karpas and Yehuda Zeiri, " Spontaneous penetration of gold nanoparticles through the blood brain barrier (BBB)", J Nanobiotechnol, (2015) 13:71 DOI 10.1186/s12951-015-0133-1.

114. Dror Cohen, Moshe Nahmani, Genadi Rafailov, Smadar Attia, Zorik Shamish, Miron Landau, Jose Merchuk, Yehuda Zeiri, "Oxidation mechanism of porous Zr2Fe used as a hydrogen getter", Applied Radiation and Isotopes 107 47-56 (2016).

115. Jimmie C. Oxley, James L. Smith, Matthew Porter, Lindsay McLennan, Kevin Colizza, Yehuda Zeiri, Ronnie Kosloff, and Faina Dubnikova "Synthesis and Degradation of Hexamethylene Triperoxide Diamine (HMTD)" Propellants, Explosives, Pyrotechnics, 41 334-350 (2016) DOI:10.1002/pr ep.2015001 51.

116. Elia Paz, Raizelman Stella, Katorza Esti, Matana Yosef, Zeiri Offer Boger Zvi, Cervelli Manuela, Mariotini Paolo, Vallone Cristina, Signore Fabrizio and Zeiri Yehuda "Biomarkers for the detection of pre-cancerous stage of cervical dysplasia", Journal of Molecular Biomarkers & Diagnosis, 6 (2015) doi:10.4172/2155-9929.1000255.

117. Faina Dubnikova and Yehuda Zeiri, "Structure, energies and vibrational frequencies of solvated Li+ in ionic liquids: The role of cation type", J. Phys. Chem. A, 120 3079-3087 (2016).

118. Paz Elia, Einat Nativ-Roth, Yehuda Zeiri, Ze'ev Porat "Determination of the average pore-size and total porosity in porous silicon layers by image processing of SEM micrographs", Microporous and Mesoporous Materials 225 465-471 (2016).

119. David Furman, Faina Dubnikova, Adri C.T. van Duin, Yehuda Zeiri and Ronnie Kosloff “Reactive Force Field for Liquid Hydrazoic Acid with Applications to Detonation Chemistry”, J. Phys. Chem. C, 120 4744-4752 (2016).

120. David Furman, Ronnie Kosloff and Yehuda Zeiri, "Mechanism of Intact Adsorbed Molecules Ejection Using High Intensity Laser Pulses", J. Phys. Chem. C 120 11306-11312 (2016).

121. David Furman, Ronnie Kosloff, and Yehuda Zeiri "Effects of Nanoscale Heterogeneities on the Reactivity of Shocked Erythritol Tetranitrate" J. Phys. Chem. C, 120 28886-28893 (2016).

122. Hagit Sela, Hagit Cohen, Zeev Karpas and Yehuda Zeiri "Distinctive hippocampal zinc distribution pattern following stress exposure in an animal model of PTSD", Metallomics, 9 323-333 (2017).

123. Dror Cohen, Jose Merchuk, Yehuda Zeiri, Oren Sadot "Porous particle catalytic effectiveness - External and internal surface continuum analytic model", Chemical Engineering Science, 166 101-106 (2017)

124. Fidelsky, Vicky; Furman, David; Khodorkovsky, Yuri ; Elbaz, Yuval; Zeiri, Yehuda ; Caspary Toroker, Maytal "Electronic structure of ?-NiOOH with hydrogen vacancies and implications for energy conversion applications", MRS Communications, 7 206-213 (2017)

125. Danny Fisher, Raya Zach, Yossef Matana, Paz Elia, Shiran Shustack, Sharon Yarden and Yehuda Zeiri " Bomb Swab: can trace explosive particles detection be improved?", Talanta, 174 92-99 (2017).

126. Jimmie C. Oxley, David Furman, Austin C. Brown, Faina Dubnikova, James L. Smith1, Ronnie Kosloff and Yehuda Zeiri "Thermal Decomposition of Erythritol Tetranitrate: A Joint Experimental and Computational Study", J. Phys. Chem. C 121 16145-16157 (2017) DOI: 10.1021/acs.jpcc.7b04668

127. Natan-Haim Kalson, David Furman, and Yehuda Zeiri "Cavitation-Induced Synthesis of Biogenic Molecules on Primordial Earth" ACS Cent. Sci. 3 1041-1049 (2017) DOI: 10.1021/acscentsci.7b00325

128. Or Herman-Saffar, Zvi Boger, Shai Libson, David Lieberman, Raphael Gonen, Yehuda Zeiri "Early non-invasive detection of breast cancer using exhaled breath and urine analysis" Computers in Biology and Medicine 96 227-232 (2018)

129. Jacob Gopas, Amir Abd EL Qader, Carol Isaacson, David Eichler and Yehuda Zeiri "Urine Volatile Organic Compounds Composition in mice bearing Breast and Melanoma tumors: effect of low-protein diet", Current Biomarker Findings 2018:8 1–13,

130. David Furman, Benny Carmeli, Yehuda Zeiri and Ronnie Kosloff "Enhanced Particle Swarm Optimization Algorithm: Efficient Training of ReaxFF Reactive Force Fields" Journal of Chemical Theory and Computation, 14 3100-3112 (2018).

131. Zvi Boger, Danny Kogan, Nadav Joseph and Yehuda Zeiri "Improved data modeling using coupled artificial neural networks", Neural Processing Letters (2019)