Recherche - Archive ouverte HAL Accéder directement au contenu

Filtrer vos résultats

37 résultats
Image document

Including tunneling into the classical cross sections and rate constants for the N(2D) + H2 (v = 0, j = 0) reaction

Pascal Larrégaray , Laurent Bonnet
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2021, 140 (6), ⟨10.1007/s00214-021-02749-6⟩
Article dans une revue hal-03373130v1
Image document

An efficient algorithm for capturing quantum effects in classical reactive scattering: application to D + H+3 → H 2 D + + H

Matthew Braunstein , Laurent Bonnet
Physical Chemistry Chemical Physics, 2023, 25 (3), pp.1602-1605. ⟨10.1039/d2cp05108g⟩
Article dans une revue hal-04239172v1

Full-Dimensional Theory of Pair-Correlated HNCO Photofragmentation

L. Bonnet , R. Linguerri , M. Hochlaf , O. Yazidi , P. Halvick , et al.
Journal of Physical Chemistry Letters, 2017, 8, pp.2420-2424. ⟨10.1021/acs.jpclett.7b00920⟩
Article dans une revue hal-01657839v1
Image document

Statistical properties of quantum probability fluctuations in complex-forming chemical reactions

L. Bonnet , P. Larregaray
Journal of Chemical Physics, 2020, 152 (8), pp.084117. ⟨10.1063/1.5139207⟩
Article dans une revue hal-02944830v1

Classical Molecule–Surface Scattering in a Quantum Spirit: Application to H 2 /Pd(111) Nonactivated Sticking

C. Crespos , J. Decock , P. Larregaray , L. Bonnet
Journal of Physical Chemistry C, 2017, 121 (31), pp.16854-16863. ⟨10.1021/acs.jpcc.7b04829⟩
Article dans une revue hal-02322285v1
Image document

Semiclassical initial value representation: From Møller to Miller

Laurent Bonnet
Journal of Chemical Physics, 2020, 153 (17), pp.174102. ⟨10.1063/5.0023137⟩
Article dans une revue hal-03372235v1
Image document

Capturing quantum effects with quasi-classical trajectories in the D + H+3 → H 2 D + + H reaction

Matthew Braunstein , Laurent Bonnet , Octavio Roncero
Physical Chemistry Chemical Physics, 2022, 24 (9), pp.5489-5505. ⟨10.1039/d1cp04244k⟩
Article dans une revue hal-03809726v1

The Intricate Dynamics of the Si( 3 P) + OH(X 2 Π) Reaction

Alejandro Rivero Santamaría , Pascal Larregaray , Laurent Bonnet , Fabrice Dayou , Maurice Monnerville
Journal of Physical Chemistry A, 2019, 123 (36), pp.7683-7692. ⟨10.1021/acs.jpca.9b04699⟩
Article dans une revue hal-02321818v1

The dynamics of the C( 1 D )+H 2 /D 2 /HD reactions at low temperature

Tomas Gonzalez-Lezana , Pascal Larregaray , Laurent Bonnet , Yanan Wu , Wensheng Bian
Journal of Chemical Physics, 2018, 148 (23), pp.234305. ⟨10.1063/1.5026454⟩
Article dans une revue hal-02322128v1
Image document

The Dynamics of the S(1D)+H2/D2 Reactions at Low Temperature via Statistical Simulations

Tomas T. Gonzalez-Lezana , Pascal Larrégaray , Laurent Bonnet
Quarks, Brazilian Electronic Journal of Physics, In press, ⟨10.34019/2674-9688.2020.v3.30914⟩
Article dans une revue hal-02944858v1

S((1)D) + ortho-D2 Reaction Dynamics at Low Collision Energies: Complementary Crossed Molecular Beam Experiments and Theoretical Investigations

Manuel Lara , Simon Chefdeville , Pascal Larregaray , Laurent Bonnet , Jean-Michel Launay , et al.
Journal of Physical Chemistry A, 2016, 120 (27), pp.5274-5281. ⟨10.1021/acs.jpca.6b01182⟩
Article dans une revue hal-01301350v1
Image document

When classical trajectories get to quantum accuracy: II. The scattering of rotationally excited H 2 on Pd(111)

Alberto Rodríguez-Fernández , Laurent Bonnet , Cedric Crespos , Pascal Larrégaray , Ricardo Díez Muiño
Physical Chemistry Chemical Physics, 2020, 22 (39), pp.22805-22814. ⟨10.1039/d0cp02655g⟩
Article dans une revue hal-02991447v1

The O(1D) + H2 (X 1Σ+, v, j) → OH(X 2Π, v′, j′) + H(2S) reaction at low collision energy: when a simple statistical description of the dynamics works

A. Rivero-Santamaría , M. González-Martínez , T. González-Lezana , J. Rubayo-Soneira , P. Larrégaray , et al.
Physical Chemistry Chemical Physics, 2011, 13 (18), pp.8136. ⟨10.1039/c0cp02662j⟩
Article dans une revue hal-04087362v1
Image document

When Classical Trajectories Get to Quantum Accuracy: The Scattering of H 2 on Pd(111)

A. Rodríguez-Fernández , L. Bonnet , C. Crespos , P. Larrégaray , R. Díez Muiño
Journal of Physical Chemistry Letters, 2019, 10 (24), pp.7629-7635. ⟨10.1021/acs.jpclett.9b02742⟩
Article dans une revue hal-02945054v1
Image document

Semiclassical initial value representation: From Møller to Miller. II

Laurent Bonnet
Journal of Chemical Physics, 2023, 158 (11), ⟨10.1063/5.0137725⟩
Article dans une revue hal-04240150v1

High-harmonic transient grating spectroscopy of NO 2 electronic relaxation

H. Ruf , C. Handschin , A. Ferré , Nicolas Thiré , J. Bertrand , et al.
Journal of Chemical Physics, 2012, 137 (22), pp.224303. ⟨10.1063/1.4768810⟩
Article dans une revue hal-03491672v1

A comparative study of the Si+O2-->SiO+O reaction dynamics from quasiclassical trajectory and statistical based methods

Fabrice Dayou , Pascal Larrégaray , Laurent Bonnet , Jean-Claude Rayez , Pedro Nilo Arenas , et al.
Journal of Chemical Physics, 2008, 128, pp.4307. ⟨10.1063/1.2913156⟩
Article dans une revue hal-03786261v1
Image document

How Adsorbed Oxygen Atoms Inhibit Hydrogen Dissociation on Tungsten Surfaces

A. Rodríguez-Fernández , L. Bonnet , P. Larrégaray , R. Díez Muiño
Journal of Physical Chemistry Letters, 2023, 14 (5), pp.1246-1252. ⟨10.1021/acs.jpclett.2c03684⟩
Article dans une revue hal-04240148v1

A combined theoretical and experimental investigation of the kinetics and dynamics of the O( 1 D) + D 2 reaction at low temperature

Dianailys Nuñez-Reyes , Kevin Hickson , Pascal Larregaray , Laurent Bonnet , Tomas Gonzalez-Lezana , et al.
Physical Chemistry Chemical Physics, 2018, 20 (6), pp.4404-4414. ⟨10.1039/C7CP07843A⟩
Article dans une revue hal-02322169v1
Image document

Statistical investigations of the S(1D)+ HD reaction at the low energy range

Tomás González-Lezana , Pascal Larrégaray , Laurent Bonnet
Chemical Physics Letters, 2021, 763, pp.138228. ⟨10.1016/j.cplett.2020.138228⟩
Article dans une revue hal-03372238v1
Image document

Experimental and theoretical studies of the N( 2 D) + H 2 and D 2 reactions

Dianailys Nuñez-Reyes , Cédric Bray , Kevin Hickson , Pascal Larrégaray , Laurent Bonnet , et al.
Physical Chemistry Chemical Physics, 2020, 22 (41), pp.23609-23617. ⟨10.1039/d0cp03971c⟩
Article dans une revue hal-02991453v1

Dynamical study of H-2 and D-2 desorbing from a Cu(111) surface

Laurent Bonnet , Aurélie Perrier , Jean-Claude Rayez
Journal of Physical Chemistry A, 2006, 110, pp.1608-1617. ⟨10.1021/jp054143p⟩
Article dans une revue istex hal-00109314v1

Erratum: ``A comparative study of the Si+O2-->SiO+O reaction dynamics from quasiclassical trajectory and statistical based methods'' [J. Chem. Phys. 128, 174307 (2008)]

Fabrice Dayou , Pascal Larrégaray , Laurent Bonnet , Jean-Claude Rayez , Pedro Nilo Arenas , et al.
Journal of Chemical Physics, 2009, 130, pp.9901. ⟨10.1063/1.3062861⟩
Article dans une revue hal-03730783v1

The kinetics of X + H2 reactions (X = C(1D), N(2D), O(1D), S(1D)) at low temperature: recent combined experimental and theoretical investigations

Kevin Hickson , Pascal Larrégaray , Laurent Bonnet , Tomás González-Lezana
International Reviews in Physical Chemistry, In press
Article dans une revue hal-03374346v1
Image document

A combined theoretical and experimental investigation of the kinetics and dynamics of the O( 1 D) + D 2 reaction at low temperature

Dianailys Nuñez-Reyes , Kevin Hickson , Pascal Larrégaray , Laurent Bonnet , Tomás González-Lezana , et al.
Physical Chemistry Chemical Physics, 2018, 20 (6), pp.4404-4414. ⟨10.1039/C7CP07843A⟩
Article dans une revue hal-03105527v1
Image document

An Experimental and Theoretical Investigation of the Gas-Phase C( 3 P) + N 2 O Reaction. Low Temperature Rate Constants and Astrochemical Implications

Kevin Hickson , Jean-Christophe Loison , Pascal Larregaray , Laurent Bonnet , Valentine Wakelam
Journal of Physical Chemistry A, 2022, 126 (6), pp.940-950. ⟨10.1021/acs.jpca.1c10112⟩
Article dans une revue hal-03809728v1

Dynamics of the S(1D)+o-D2 --> SD+D reaction at low collision energies: revisiting the SH2 system

Manuel Lara , Simon Chefdeville , Pascal Larregaray , Laurent Bonnet , Jean-Michel Launay , et al.
MOLEC 2018, Aug 2018, Dinard, France
Poster de conférence hal-01882652v1
Image document

Experimental and Theoretical Study of the O( 1 D) + HD Reaction

Dianailys Nuñez-Reyes , Kevin Hickson , Pascal Larrégaray , Laurent Bonnet , Tomás González-Lezana , et al.
Journal of Physical Chemistry A, 2019, 123 (38), pp.8089-8098. ⟨10.1021/acs.jpca.9b06133⟩
Article dans une revue hal-02991672v1

On the dynamics of H2 desorbing from a Pt(111) surface

Jean-Claude Rayez , A. Perrier , Laurent Bonnet , D.A. Liotard
Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2005, 581, pp.189-198. ⟨10.1016/j.susc.2005.02.052⟩
Article dans une revue istex hal-00108134v1

On the statisticodynamical approach of final state distributions in simple bond fissions

Laurent Bonnet , Jean-Claude Rayez , Pascal Larrégaray
Physical Chemistry Chemical Physics, 2005, 7, pp.3540-3544. ⟨10.1039/b507509b⟩
Article dans une revue istex hal-00110130v1