Boutheina Kerkeni
Physical and Theoretical Chemistry
Telephone: +44 (0) 1865 275161
PhD thesis "Line broadening and relaxation by collisions with Hydrogen atoms. Polarization of the lines.
Determination of collisional rates between hydrogen atoms and alkali and alkali earth atoms. Radiative transfer. Collisional Depolarization.
Hanle Effect under physical conditions of stellar atmospheres" at Paris VI University.
EPSRC Research Assistant on the topic "Mode-Selective Quantum Dynamics and Kinetics in Chemical Reactions"
at the Physical & Theoretical
Chemistry Laboratory, Oxford University.
Research Interests
Theoretical and computational study of collisions, chemical reactivity, dynamics and kinetics.
Electronic structure calculations and analytical representation of potential energy surfaces.
Quantum reduced dimensionality models using the R-matrix method.
Development of a practical and reliable approach for predicting the kinetics of general polyatomic reactions (Branching Ratios and Kinetic
Isotope Effects).
Investigation of chemical reactivity on solid surfaces.
Quantum determination of the broadening and relaxation parameters of atomic lines due to collisions with hydrogen atoms in sun-like atmospheres.
Head of Group
Further Information
Selected Publications
Kerkeni B. and Clary D.C.
Quantum dynamics study of the Langmuir-Hinshelwood H + H recombination mechanism and H2 formation on a graphene model surface
Chem. Phys., 338, 1, 2007.
Kerkeni B. and Clary D.C.
Quantum scattering study of the abstraction reactions of H atoms from CH3NH2
Chem. Phys. Lett., 438, 1, 2007.
Kerkeni B. and Clary D.C.
Quantum Dynamics Calculations of the Mu + CH4 -> MuH + CH3 reaction rate constants
Chem. Phys. Lett., 421, 499, 2006.
Kerkeni B. and Clary D.C.
Quantum reactive scattering of H + hydrocarbon reactions.
Phys. Chem. Chem. Phys., 8, 917, 2006.
Kerkeni B. and Clary D.C.
The effect of the torsional and stretching vibrations of C2H6 on the H+C2H6 -> H2+C2H5 reaction.
J. Chem. Phys., 123,
Art. No. 064305, 2005.
Kerkeni B. and Clary D.C. Quantum dynamics and kinetics of the abstraction reactions by H atoms of primary and secondary hydrogens in C3H8.
Mol. Phys., 103,
1745, 2005.
Kerkeni B. and Clary D.C.
Kinetic isotope effects in the reactions of D atoms with CH4, C2H6, and CH3OH: Quantum dynamics calculations.
J. Chem. Phys., 108,
8966, 2004.
Kerkeni B. and Clary D.C. Ab
initio rate constants from hyperspherical quantum scattering:
Application to H+C2H6 and H+CH3OH.
J. Chem. Phys., 121,
6809, 2004.
Kerkeni B. and Clary D.C. Ab
initio rate constants from hyperspherical quantum scattering:
Application to H+CH4 -> H2+CH3.
J. Chem. Phys., 120,
2308, 2004.
Kerkeni B. and Clary D.C.
A simplified reduced-dimensionality study to treat reactions of the type X+CZ3Y -> XY+CZ3.
J. Phys. Chem. A., 107,
10851, 2003.
Kerkeni B, Barklem PS, Spielfiedel A, et al.
Collisional broadening of Mg, Sr, Ca and Na resonance lines by atomic hydrogen.
J. Phys. B: At. Mol. Opt. Phys., 37, 677, 2004.
Kerkeni B, Spielfiedel A, Feautrier N.
Depolarisation rates of Ca II s, p and d levels by isotropic collisions with hydrogen atoms.
Astron. & Astroph., 402, 5, 2003.
Kerkeni B and Bommier V.
Theoretical study of the collisional depolarization and of the Hanle effect in the NaI D-2 line observed on the solar limb.
Astron. & Astroph., 394, 707, 2002.
Kerkeni B.
Depolarization rates of resonance lines of Mg, Ca, Sr and Na atoms by collisions with neutral hydrogen.
Astron. & Astroph., 390, 783, 2002.
Kerkeni B, Spielfiedel A, Feautrier N.
Ab initio calculation of the transfer and multipole rates of the Na ground state hyperfine levels perturbed by atomic hydrogen.
Astron. & Astroph., 358, 373, 2000.
Teaching Tutorials
Mathematics and Physics For Chemistry at Worcester College
Quantum Chemistry Supplementary Subject - 2nd Year
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