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MCMC 2 (version 1.1.1): A Monte Carlo code for multiply charged clusters

David A Bonhommeau
Computer Physics Communications, 2015, 196, pp.614-616. ⟨10.1016/j.cpc.2015.06.017⟩
Article dans une revue hal-03844330v1
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Unveiling Carbon Dioxide and Ethanol Diffusion in Carbonated Water-Ethanol Mixtures by Molecular Dynamics Simulations

Mohamed Ahmed Khaireh , Marie Angot , Clara Cilindre , Gérard Liger-Belair , David A. Bonhommeau
Molecules, 2021, 26 (6), pp.1711. ⟨10.3390/molecules26061711⟩
Article dans une revue hal-03844440v1
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Fragmentation dynamics of argon clusters (Ar[sub n], n=2 to 11) following electron-impact ionization: Modeling and comparison with experiment

David Bonhommeau , Nadine Halberstadt , Alexandra Viel
Journal of Chemical Physics, 2006, 124 (18), pp.184314. ⟨10.1063/1.2194552⟩
Article dans une revue hal-01118374v1
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CO2 Diffusion in Champagne Wines: A Molecular Dynamics Study

Alexandre Perret , David A Bonhommeau , Gérard Liger-Belair , Thibaud Cours , Alexander Alijah
Journal of Physical Chemistry B, 2014, 118 (7), pp.1839-1847. ⟨10.1021/jp410998f⟩
Article dans une revue hal-03844277v1

Temperature Dependence of CO2 and Ethanol Diffusion in Champagne Wines: A Joint Molecular Dynamics and 13C NMR Study

David Bonhommeau , Alexandre Perret , Jean-Marc Nuzillard , Clara Cilindre , Thibaud Cours , et al.
Advances in Wine Research, 2015
Chapitre d'ouvrage hal-01905016v1
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Dissociative ionization of neon clusters Ne[sub n], n=3 to 14: A realistic multisurface dynamical study

David Bonhommeau , Alexandra Viel , Nadine Halberstadt
Journal of Chemical Physics, 2005, 123 (5), pp.054316. ⟨10.1063/1.1953530⟩
Article dans une revue hal-01118371v1
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Fragmentation dynamics of Ar4He1000 upon electron impact ionization: competition between ion ejection and trapping

Nadine Halberstadt , David Bonhommeau
Journal of Chemical Physics, 2020, 152 (23), pp.234305. ⟨10.1063/5.0009363⟩
Article dans une revue hal-03086651v3

Dynamics and thermodynamics of decay in charged clusters

Mark A. Miller , David A. Bonhommeau , Christian P. Moerland , Sarah J. Gray , Marie-Pierre Gaigeot
Molecular Physics, 2015, 113 (17-18), pp.2428-2434. ⟨10.1080/00268976.2015.1037805⟩
Article dans une revue hal-02065100v1

MDMC2: A molecular dynamics code for investigating the fragmentation dynamics of multiply charged clusters

David A. Bonhommeau , Marie-Pierre Gaigeot
Computer Physics Communications, 2014, 185 (2), pp.684-694. ⟨10.1016/J.CPC.2013.10.015⟩
Article dans une revue hal-02112306v1
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Fragmentation dynamics of ionized neon trimer inside helium nanodroplets: A theoretical study

David Bonhommeau , Alexandra Viel , Nadine Halberstadt
Journal of Chemical Physics, 2004, 120 (24), pp.11359-11362. ⟨10.1063/1.1763567⟩
Article dans une revue hal-01118368v1
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Unveiling the Interplay Between Diffusing CO 2 and Ethanol Molecules in Champagne Wines by Classical Molecular Dynamics and 13 C NMR Spectroscopy

David A Bonhommeau , Alexandre Perret , Jean-Marc Nuzillard , Clara Cilindre , Thibaud Cours , et al.
Journal of Physical Chemistry Letters, 2014, 5 (24), pp.4232-4237. ⟨10.1021/jz502025e⟩
Article dans une revue hal-03844304v1

Fragmentation of ionized doped helium nanodroplets: Theoretical evidence for a dopant ejection mechanism

David Bonhommeau , M. Lewerenz , Nadine Halberstadt
Journal of Chemical Physics, 2008, 128 (5), pp.054302. ⟨10.1063/1.2823101⟩
Article dans une revue hal-00949096v1
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Chemical properties of the possible Titan's alkanofer

Daniel Cordier , David Bonhommeau
Europlanet Science Congress 2020, Sep 2020, Reims Virtual Congress, France
Communication dans un congrès hal-03044401v1

Multiscale Dynamics of Cluster Fragmentation

Florent Calvo , David Bonhommeau , Pascal Parneix
Physical Review Letters, 2007, 99 (8), pp.083401. ⟨10.1103/PhysRevLett.99.083401⟩
Article dans une revue hal-00976736v1
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Clustering, collision, and relaxation dynamics in pure and doped helium nanoclusters: Density- vs particle-based approaches

Ernesto García-Alfonso , Manuel Barranco , David A. Bonhommeau , Nadine Halberstadt , Martí Pi , et al.
Journal of Chemical Physics, 2022, 157 (1), pp.014106. ⟨10.1063/5.0091942⟩
Article dans une revue hal-03861442v1
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MCMC2 (version 1.1.2): A Monte Carlo code for multiply charged clusters

David A Bonhommeau
Computer Physics Communications, 2016, 207, pp.533-535. ⟨10.1016/j.cpc.2016.06.009⟩
Article dans une revue hal-03844346v1
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Vertical compositional variations of liquid hydrocarbons in Titan’s alkanofers

Daniel Cordier , David A. Bonhommeau , Tuan H. Vu , Mathieu Choukroun , Fernando García-Sánchez
Astronomy and Astrophysics - A&A, 2021, 653, pp.A80. ⟨10.1051/0004-6361/202140789⟩
Article dans une revue hal-03341515v1
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Capillarity processes at Titan and beyond

Daniel Cordier , Gérard Liger-Belair , David Bonhommeau , Thomas Séon , Nathalie Carrasco
Europlanet Science Congress 2022, Sep 2022, Granada, Spain. pp.EPSC2022-108, ⟨10.5194/epsc2022-108⟩
Communication dans un congrès insu-03834671v1
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Modelization of the fragmentation dynamics of krypton clusters (Kr[sub n],n=2–11) following electron impact ionization

David Bonhommeau , Thomas Bouissou , Nadine Halberstadt , Alexandra Viel
Journal of Chemical Physics, 2006, 124 (16), pp.164308. ⟨10.1063/1.2186645⟩
Article dans une revue hal-01118373v1

Modeling the fragmentation dynamics of ionic clusters inside helium nanodroplets: The case of He100Ne+4

David Bonhommeau , P. T. Lake , C. Le Quiniou , M. Lewerenz , Nadine Halberstadt
Journal of Chemical Physics, 2007, 126 (5), pp.051104. ⟨10.1063/1.2515225⟩
Article dans une revue hal-00965459v1

Structure and stability of charged clusters

Marc A. Miller , David Bonhommeau , Christopher J. Heard , Yuyoung Shin , Riccardo Spezia , et al.
Journal of Physics: Condensed Matter, 2012, 24 (28), pp.284130. ⟨10.1088/0953-8984/24/28/284130⟩
Article dans une revue hal-00733879v1

Charge localization in multiply charged clusters and their electrical properties: Some insights into electrospray droplets

David Bonhommeau , Riccardo Spezia , Marie-Pierre Gaigeot
Journal of Chemical Physics, 2012, 136 (18), pp.184503. ⟨10.1063/1.4705754⟩
Article dans une revue hal-00733877v1
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MeCaSDa and ECaSDa: Methane and ethene calculated spectroscopic databases for the virtual atomic and molecular data centre

Yaye Awa Ba , Christian Wenger , Romain Surleau , Vincent Boudon , Maud Rotger , et al.
Journal of Quantitative Spectroscopy and Radiative Transfer, 2013, 130, pp.62-68. ⟨10.1016/j.jqsrt.2013.05.001⟩
Article dans une revue hal-03844245v1
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Zero-point averaged dynamics of Ar n + He 1000 : Dopant-size influence on potential-energy surfaces, mass spectra and fragmentation patterns

David A Bonhommeau
Chemical Physics, 2021, 550, pp.111307. ⟨10.1016/j.chemphys.2021.111307⟩
Article dans une revue hal-03844453v1
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Toward In Silico Prediction of CO 2 Diffusion in Champagne Wines

Mohamed Ahmed Khaireh , Gérard Liger-Belair , David A Bonhommeau
ACS Omega, 2021, 6 (17), pp.11231-11239. ⟨10.1021/acsomega.0c06275⟩
Article dans une revue hal-03844411v1
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Fragmentation dynamics of ionized neon clusters (Ne[sub n],n=3–14) embedded in helium nanodroplets

David Bonhommeau , Nadine Halberstadt , Alexandra Viel
Journal of Chemical Physics, 2006, 124 (2), pp.024328. ⟨10.1063/1.2158993⟩
Article dans une revue hal-01118372v1
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Coupled-surface investigation of the photodissociation of NH3(Ã): Effect of exciting the symmetric and antisymmetric stretching modes

David Bonhommeau , Rosendo Valero , Donald G Truhlar , Ahren W Jasper
Journal of Chemical Physics, 2009, 130 (23), pp.234303. ⟨10.1063/1.3132222⟩
Article dans une revue hal-03844205v1
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Mixed quantum/classical investigation of the photodissociation of NH3(Ã) and a practical method for maintaining zero-point energy in classical trajectories

David Bonhommeau , Donald G Truhlar
Journal of Chemical Physics, 2008, 129 (1), pp.014302. ⟨10.1063/1.2943213⟩
Article dans une revue hal-03844171v1

Modelling Mass Spectrometry Electrospray Ionization (ESI-MS).

David Bonhommeau , Yasmina Geha , Riccardo Spezia , Marie-Pierre Gaigeot , Marc A. Miller
Gordon Research Conference “Gaseous Ions: Structure, Energetics & Reactions”, Mar 2009, Galveston, United States
Communication dans un congrès hal-00366915v1

Densities, Viscosities, Thermal Expansivities, and Isothermal Compressibilities of Carbonated Hydroalcoholic Solutions for Applications in Sparkling Beverages

David Bonhommeau , Marie Angot , Clara Cilindre , Mohamed Ahmed Khaireh , Gérard Liger-Belair
Journal of Physical Chemistry B, 2022, 126 (48), pp.10194-10205. ⟨10.1021/acs.jpcb.2c07009⟩
Article dans une revue hal-03983138v1