B. Kerkeni

发表

Exploring the interplay between ligand and topology in zeolitic imidazolate frameworks with computational chemistry

C. Mellot‐Draznieks, B. Kerkeni, 2014 .

Depolarisation rates of Ca II s, p and d levels by isotropic collisions with hydrogen atoms

B. Kerkeni, N. Feautrier, A. Spielfiedel, 2003 .

Depolarization rates of resonance lines of Mg, Ca, Sr and Na atoms by collisions with neutral hydrogen

B. Kerkeni, 2002 .

Collisional broadening of Mg, Sr, Ca and Na resonance lines by atomic hydrogen

B. Kerkeni, N. Feautrier, P. Barklem, 2004 .

Bound Electron Enhanced Radiosensitisation of Nimorazole upon Charge Transfer

B. Kerkeni, P. Limão-Vieira, G. García, 2022, Molecules.

Peptide Bonds in the Interstellar Medium: Facile Catalytic Formation from Nitriles on Water–Ice Grains

J. Simmie, B. Kerkeni, 2022, The journal of physical chemistry. A.

Trends in the adsorption and reactivity of hydrogen on magnesium silicate nanoclusters.

S. Bromley, B. Kerkeni, I. Oueslati, 2015, Physical chemistry chemical physics : PCCP.

Low temperature rate coefficients of the H + CH(+) → C(+) + H2 reaction: New potential energy surface and time-independent quantum scattering.

B. Kerkeni, P. Honvault, P. Halvick, 2015, The Journal of chemical physics.

Quantum chemical study of the reaction paths and kinetics of acetaldehyde formation on a methanol–water ice model

G. Nyman, B. Kerkeni, Islem Ben Chouikha, 2022, RSC advances.

Isotopic effects in the collision of CH+ with He

B. Kerkeni, N. Feautrier, T. Stoecklin, 2017 .

Ab initio calculation of the transfer and multipole rates of the Na ground state hyperfine levels perturbed by atomic hydrogen

B. Kerkeni, N. Feautrier, A. Spielfiedel, 2000 .

Probing computational methodologies in predicting mid-infrared spectra for large polycyclic aromatic hydrocarbons

D. Clary, D. Tew, B. Kerkeni, 2022, 2210.00955.

Methanol Negative Ion Fragmentation Probed in Electron Transfer Experiments.

B. Kerkeni, P. Limão-Vieira, G. García, 2022, The journal of physical chemistry. A.

Structures and binding energies for complexations of different spin states of Ni+ and Ni2+ to aromatic molecules

A. Aquino, B. Kerkeni, W. Hase, 2019, Molecular Physics.

Coordination complexes of 4-methylimidazole with ZnII and CuII in gas phase and in water: a DFT study

B. Kerkeni, C. Lepetit, D. Berthomieu, 2016, Journal of Molecular Modeling.

Quantum chemistry and dynamics of the abstraction reaction of H atoms from formaldehyde

B. Kerkeni, A. Siaï, I. Oueslati, 2016 .

Quantum dynamics and kinetics of the abstraction reactions by H atoms of primary and secondary hydrogens in C3H8

D. Clary, B. Kerkeni, 2005 .

QM/MM Study of the H2 Formation on the Surface of a Water Ice Grain Doped With Formaldehyde: Molecular Dynamics and Reaction Kinetics

B. Kerkeni, D. Duflot, C. Toubin, 2022, Frontiers in Astronomy and Space Sciences.

Quantum reactive scattering of H + hydrocarbon reactions.

D. Clary, B. Kerkeni, 2006, Physical chemistry chemical physics : PCCP.

Ab initio rate constants from hyperspherical quantum scattering: application to H+C2H6 and H+CH3OH.

D. Clary, B. Kerkeni, 2004, The Journal of chemical physics.

The effect of the torsional and stretching vibrations of C2H6 on the H + C2H6 --> H2 + C2H5 reaction.

D. Clary, B. Kerkeni, 2005, The Journal of chemical physics.

Structured water in polyelectrolyte dendrimers: understanding small angle neutron scattering results through atomistic simulation.

Sean C. Smith, Changwoo Do, Yun Liu, 2012, The Journal of chemical physics.

Quantum dynamics calculations of the Mu + CH4 → MuH + CH3 reaction rate constants

D. Clary, B. Kerkeni, 2006 .

Understanding propyl cyanide and its isomers formation: ab initio study of the spectroscopy and reaction mechanisms.

B. Kerkeni, N. Feautrier, M. Senent, 2019, Physical chemistry chemical physics : PCCP.

Understanding H2 Formation on Hydroxylated Nanopyroxene Clusters : Ab Initio Study of the Reaction Energetics and Kinetics.

S. Bromley, B. Kerkeni, M. Bacchus-Montabonel, 2019, The journal of physical chemistry. A.

How hydroxylation affects hydrogen adsorption and formation on nanosilicates

S. Bromley, B. Kerkeni, M. Bacchus-Montabonel, 2017 .

Proton-Induced Charge Transfer on Imidazole and 2- Aminoimidazole. Role of the Substituent and Influence of Stepwise Hydration.

B. Kerkeni, M. Bacchus-Montabonel, 2020, The journal of physical chemistry. A.

Copper Coordination to Water and Ammonia in CuII-Exchanged SSZ-13: Atomistic Insights from DFT Calculations and in Situ XAS Experiments

J. Grunwaldt, B. Kerkeni, C. Chizallet, 2018, The Journal of Physical Chemistry C.

Quantum dynamics study of the Langmuir–Hinshelwood H + H recombination mechanism and H2 formation on a graphene model surface

D. Clary, B. Kerkeni, 2007 .

Dehydrogenation mechanisms and thermodynamics of MNH2BH3 (M=Li, Na) metal amidoboranes as predicted from first principles.

Z. Guo, S. Shevlin, B. Kerkeni, 2011, Physical chemistry chemical physics : PCCP.

Quantum scattering study of the abstraction reactions of H atoms from CH3NH2

D. Clary, B. Kerkeni, 2007 .

Competing mechanisms of catalytic H2 formation and dissociation on ultrasmall silicate nanocluster dust grains

S. Bromley, B. Kerkeni, 2013 .

The properties of Polycyclic Aromatic Hydrocarbons in galaxies: constraints on PAH sizes, charge and radiation fields

D. Clary, B. Kerkeni, D. Rigopoulou, 2020, 2011.10114.

Ab initio investigation of the abstraction reactions by H and D from tetramethylsilane and its deuterated substitutions.

B. Kerkeni, N. Feautrier, A. Spielfiedel, 2014, The journal of physical chemistry. A.

Rate coefficients and kinetic isotope effects of the abstraction reaction of H atoms from methylsilane

B. Kerkeni, I. Oueslati, M. Hechmi, 2016 .

Quantum scattering study of the abstraction reaction of H atoms from tetramethylsilane

B. Kerkeni, N. Feautrier, W. Tchang-Brillet, 2015 .

Theoretical study of the collisional depolarization and of the Hanle effect in the Na I D$\mathsf{_{2}}$ line observed on the solar limb

V. Bommier, B. Kerkeni, 2002 .

Relaxation by Collisions with Hydrogen Atoms: Polarization of Spectral Lines

B. Kerkeni, 2005 .

Isotope Effect in D2O Negative Ion Formation in Electron Transfer Experiments: DO–D Bond Dissociation Energy

M. Hoshino, B. Kerkeni, P. Limão-Vieira, 2023, The journal of physical chemistry letters.

Kinetic Isotope Effects in the Reactions of D Atoms with CH4, C2H6, and CH3OH: Quantum Dynamics Calculations†

D. Clary, B. Kerkeni, 2004 .