Ab initio rate constants from hyperspherical quantum scattering: Application to B Kerkeni, DC Clary The Journal of chemical physics 120 (5), 2308-2318, 2004 | 72 | 2004 |
Quantum reactive scattering of H+ hydrocarbon reactions B Kerkeni, DC Clary Physical Chemistry Chemical Physics 8 (8), 917-925, 2006 | 61 | 2006 |
Ab initio rate constants from hyperspherical quantum scattering: Application to H+ C2H6 and H+ CH3OH B Kerkeni, DC Clary The Journal of chemical physics 121 (14), 6809-6821, 2004 | 60 | 2004 |
Kinetic Isotope Effects in the Reactions of D Atoms with CH4, C2H6, and CH3OH: Quantum Dynamics Calculations B Kerkeni, DC Clary The Journal of Physical Chemistry A 108 (41), 8966-8972, 2004 | 54 | 2004 |
Multiple-timescale photoreactivity of a model compound related to the active site of [FeFe]-hydrogenase AR Ridley, AI Stewart, K Adamczyk, HN Ghosh, B Kerkeni, ZX Guo, ... Inorganic chemistry 47 (17), 7453-7455, 2008 | 52 | 2008 |
Theoretical study of the collisional depolarization and of the Hanle effect in the Na ID line observed on the solar limb B Kerkeni, V Bommier Astronomy & Astrophysics 394 (2), 707-715, 2002 | 41 | 2002 |
Copper Coordination to Water and Ammonia in CuII-Exchanged SSZ-13: Atomistic Insights from DFT Calculations and in Situ XAS Experiments B Kerkeni, D Berthout, D Berthomieu, DE Doronkin, M Casapu, ... The Journal of Physical Chemistry C 122 (29), 16741-16755, 2018 | 40 | 2018 |
The properties of polycyclic aromatic hydrocarbons in galaxies: constraints on PAH sizes, charge and radiation fields D Rigopoulou, M Barale, DC Clary, X Shan, A Alonso-Herrero, ... Monthly Notices of the Royal Astronomical Society 504 (4), 5287-5300, 2021 | 38 | 2021 |
Depolarization rates of resonance lines of Mg, Ca, Sr and Na atoms by collisions with neutral hydrogen B Kerkeni Astronomy & Astrophysics 390 (2), 783-791, 2002 | 37 | 2002 |
Polycyclic aromatic hydrocarbons in Seyfert and star-forming galaxies I García-Bernete, D Rigopoulou, A Alonso-Herrero, M Pereira-Santaella, ... Monthly Notices of the Royal Astronomical Society 509 (3), 4256-4275, 2022 | 36 | 2022 |
Quantum scattering study of the abstraction reactions of H atoms from CH3NH2 B Kerkeni, DC Clary Chemical physics letters 438 (1-3), 1-7, 2007 | 36 | 2007 |
Structured water in polyelectrolyte dendrimers: Understanding small angle neutron scattering results through atomistic simulation B Wu, B Kerkeni, T Egami, C Do, Y Liu, Y Wang, L Porcar, K Hong, ... The Journal of chemical physics 136 (14), 2012 | 29 | 2012 |
Competing mechanisms of catalytic H2 formation and dissociation on ultrasmall silicate nanocluster dust grains B Kerkeni, ST Bromley Monthly Notices of the Royal Astronomical Society 435 (2), 1486-1492, 2013 | 27 | 2013 |
Low temperature rate coefficients of the H+ CH+→ C++ H2 reaction: New potential energy surface and time-independent quantum scattering G Werfelli, P Halvick, P Honvault, B Kerkeni, T Stoecklin The Journal of Chemical Physics 143 (11), 2015 | 26 | 2015 |
Quantum dynamics study of the Langmuir–Hinshelwood H+ H recombination mechanism and H2 formation on a graphene model surface DC Clary Chemical Physics 338 (1), 1-10, 2007 | 26 | 2007 |
The Effect of the Torsional and Stretching Vibrations of C2H6 on the H+ C2H6→ H2+ C2H5 Reaction B Kerkeni, DC Clary The Journal of chemical physics 123 (6), 2005 | 23 | 2005 |
A Simplified Reduced-Dimensionality Study to Treat Reactions of the Type X + CZ3Y → XY + CZ3 B Kerkeni, DC Clary The Journal of Physical Chemistry A 107 (49), 10851-10856, 2003 | 23 | 2003 |
How hydroxylation affects hydrogen adsorption and formation on nanosilicates B Kerkeni, MC Bacchus-Montabonel, ST Bromley Molecular Astrophysics 7, 1-8, 2017 | 19 | 2017 |
Quantum dynamics and kinetics of the abstraction reactions by H atoms of primary and secondary hydrogens in C3H8 B Kerkeni, DC Clary Molecular Physics 103 (13), 1745-1755, 2005 | 18 | 2005 |
Collisional broadening of Mg, Sr, Ca and Na resonance lines by atomic hydrogen B Kerkeni, PS Barklem, A Spielfiedel, N Feautrier Journal of Physics B: Atomic, Molecular and Optical Physics 37 (3), 677, 2004 | 18 | 2004 |