Search - Archive ouverte HAL Access content directly

Filter your results

11 Results
authFullName_s : Boutheïna Kerkeni

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

Ichraf Oueslati , Mariem Hechmi , Emna Jebari , Karim Baccari , Boutheïna Kerkeni et al.
Molecular Physics, 2016, 114, pp.3396-3406. ⟨10.1080/00268976.2016.1234076⟩
Journal articles insu-03718941v1

Isotopic effects in the collision of CH+ with He

Ghofran Werfelli , Christian Balança , Thierry Stoecklin , Boutheïna Kerkeni , Nicole Feautrier et al.
Monthly Notices of the Royal Astronomical Society, 2017, 468 (3), pp.2582-2589. ⟨10.1093/mnras/stx675⟩
Journal articles hal-02174544v1
Image document

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

Boutheïna Kerkeni , Malek Boukallaba , Mariem Hechmi , Denis Duflot , Céline Toubin et al.
Frontiers in Astronomy and Space Sciences, 2022, 9, ⟨10.3389/fspas.2022.807649⟩
Journal articles hal-03614163v1

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

Boutheïna Kerkeni , Marie-Christine Bacchus-Montabonel
Journal of Physical Chemistry A, 2020, 124 (5), pp.1003-1010. ⟨10.1021/acs.jpca.9b10602⟩
Journal articles hal-02490280v1

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

Boutheïna Kerkeni , Victoria Gámez , Maria Luisa Senent , Nicole Feautrier
Physical Chemistry Chemical Physics, 2019, 21 (42), pp.23375-23384. ⟨10.1039/C9CP04365A⟩
Journal articles obspm-03986272v1

Understanding H 2 Formation on Hydroxylated Pyroxene Nanoclusters: Ab Initio Study of the Reaction Energetics and Kinetics

Boutheïna Kerkeni , Marie-Christine Bacchus-Montabonel , Xiao Shan , Stefan T Bromley
Journal of Physical Chemistry A, 2019, 123 (43), pp.9282-9291. ⟨10.1021/acs.jpca.9b06713⟩
Journal articles hal-02346415v1

Structures and binding energies for complexations of different spin states of Ni + and Ni 2+ to aromatic molecules

Boutheïna Kerkeni , Adelia Aquino , Michael Berman , William Hase
Molecular Physics, 2019, 117 (9-12), pp.1392-1403. ⟨10.1080/00268976.2018.1552800⟩
Journal articles hal-03055001v1

How hydroxylation affects hydrogen adsorption and formation on nanosilicates

Boutheïna Kerkeni , Marie-Christine Bacchus-Montabonel , Stefan T Bromley
Molecular Astrophysics, 2017, 7, pp.1-8. ⟨10.1016/j.molap.2017.04.001⟩
Journal articles hal-02108364v1

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

Ichraf Oueslati , Boutheïna Kerkeni , Stefan T Bromley
Physical Chemistry Chemical Physics, 2015, 17 (14), pp.8951-8963. ⟨10.1039/C4CP05128A⟩
Journal articles hal-02400654v1

Coordination complexes of 4-methylimidazole with Zn-II and Cu-II in gas phase and in water: a DFT study

Malek Boukallaba , Boutheïna Kerkeni , Christine Lepetit , Dorothée Berthomieu
Journal of Molecular Modeling, 2016, 22 (12), pp.301. ⟨10.1007/s00894-016-3167-x⟩
Journal articles hal-01936043v1
Image document

Editorial: Understanding the Astrophysical Molecular Complexity: Theoretical and Experimental Investigations

Boutheïna Kerkeni , Denis Duflot , Nicole Feautrier
Frontiers in Astronomy and Space Sciences, 2022, 9, ⟨10.3389/fspas.2022.878129⟩
Journal articles hal-03954748v1