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1

Isotope Effects in Eley–Rideal and Hot-Atom Abstraction Dynamics of Hydrogen from Tungsten (100) and (110) Surfaces

Pétuya, R., Nosir, M. A., Crespos, C., Díez Muiño, R., Larrégaray, P.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 2.74 MB

english, 2015

2

Comparative Theoretical Study of H 2 Eley–Rideal Recombination Dynamics on W(100) and W(110)

Pétuya, R., Crespos, C., Quintas-Sanchez, E., Larrégaray, P.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 2.45 MB

english, 2014

3

Scattering of Atomic Hydrogen Off a H-Covered W(110) Surface: Hot-Atom versus Eley–Rideal Abstraction Dynamics

Pétuya, R., Larrégaray, P., Crespos, C., Aurel, P., Busnengo, H. F., Martínez, A. E.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 2.11 MB

english, 2015

4

Hydrogen Abstraction from Metal Surfaces: When Electron-Hole Pair Excitations Strongly Affect Hot-Atom Recombination

Galparsoro, Oihana, Pétuya, Rémi, Busnengo, Heriberto Fabio, Juaristi, J. Iñaki, Crespos, Cedric, Alducin, Maite, Larregaray, P.

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 5.50 MB

english, 2016

5

Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure

Galparsoro, Oihana, Busnengo, Heriberto Fabio, Juaristi, Joseba Iñaki, Crespos, Cédric, Alducin, Maite, Larregaray, Pascal

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.95 MB

english, 2017

6

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

Bonnet, L., Larregaray, P.

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 1.72 MB

2020

7

A Theoretical Study on the Reactions of Hg with Halogens: Atmospheric Implications.

Alexei F. Khalizov, Balakrishnan Viswanathan, Pascal Larregaray, Parisa A. Ariya

Journal:

Year:

2003

File:

PDF, 53 KB

2003

8

Ultrafast solvent response upon a change of the solute size in non-polar supercritical fluids

P. Larrégaray, A. Cavina, M. Chergui

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 671 KB

english, 2005

9

Detailed description of the flexible periodic London–Eyring–Polanyi–Sato potential energy function

L. Martin-Gondre, C. Crespos, P. Larrégaray, J.C. Rayez, D. Conte, B. van Ootegem

Journal:

Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.03 MB

english, 2010

10

On product state distributions in triatomic unimolecular reactions: IV. Selfconsistency of the statisticodynamical approach

L. Bonnet, P. Larrégaray, J.C. Rayez

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 156 KB

english, 2004

11

Is the LEPS potential accurate enough to investigate the dissociation of diatomic molecules on surfaces?

L. Martin-Gondre, C. Crespos, P. Larregaray, J.C. Rayez, B. van Ootegem, D. Conte

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 951 KB

english, 2009

12

Classical photodissociation dynamics with Bohr quantization: Application to the fragmentation of a van der Waals cluster

W. Arbelo-González, L. Bonnet, P. Larrégaray, J.-C. Rayez, J. Rubayo-Soneira

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 321 KB

english, 2012

13

Normalization of the Gaussian binning trajectory method for indirect reactions

L. Bonnet, P. Larrégaray, W. Arbelo-González, M. de Castro-Vítores

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 466 KB

english, 2012

14

Classical dynamics study of atomic oxygen over graphite (0 0 0 1) with new interpolated and analytical potential energy surfaces

Víctor Morón, Ludovic Martin-Gondre, Cédric Crespos, Pascal Larregaray, Pablo Gamallo, Ramón Sayós

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 1.77 MB

english, 2012

15

Introduction to Jean-Claude Rayez Festschrift

L. Bonnet, P. Larrégaray, V. Aquilanti

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 393 KB

english, 2012

16

Rationalizing the S(1D) + H2 → SH(X2Π) + H reaction dynamics through a semi-classical capture model

P. Larregaray, L. Bonnet

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 496 KB

english, 2012

17

Recombination and chemical energy accommodation coefficients from chemical dynamics simulations: O/O2 mixtures reacting over a β-cristobalite (001) surface

Morón, Víctor, Gamallo, Pablo, Martin-Gondre, Ludovic, Crespos, Cédric, Larregaray, Pascal, Sayós, Ramón

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.54 MB

english, 2011

18

Dynamics simulation of N[sub 2] scattering onto W(100,110) surfaces: A stringent test for the recently developed flexible periodic London–Eyring–Polanyi–Sato potential energy surface

Martin-Gondre, L., Crespos, C., Larregaray, P., Rayez, J. C., van Ootegem, B., Conte, D.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.66 MB

english, 2010

19

Strong geometric-phase effects in the hydrogen-exchange reaction at high collision energies: II. Quasiclassical trajectory analysis

Bouakline, Foudhil, Althorpe, Stuart C., Larregaray, Pascal, Bonnet, Laurent

Journal:

Molecular Physics

Year:

2010

Language:

english

File:

PDF, 1.55 MB

english, 2010

20

Theoretical Sensitivity of the C( 3 P) + OH(X 2 Π) → CO(X 1 Σ + ) + H( 2 S) Rate Constant: The Role of the Long-Range Potential

Jorfi, Mohamed, Bussery-Honvault, Béatrice, Honvault, Pascal, Stoecklin, Thierry, Larrégaray, Pascal, Halvick, Philippe

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 259 KB

english, 2010

21

Validity of Phase Space Theory for Atom−Diatom Insertion Reactions †

Larrégaray, P., Bonnet, L., Rayez, J.-C.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 176 KB

english, 2006

22

Influence of Surface Symmetry on the Onset of Nitrogen Eley–Rideal Recombination on Tungsten

Quintas-Sánchez, E., Larrégaray, P., Crespos, C.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 1.29 MB

english, 2014

23

Classical reactive scattering in a quantum spirit: improving the shape of rotational state distributions for indirect reactions in the quantum regime

L. Bonnet,P. Larrégaray,Ph. Halvick,J.-C. Rayez

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2014

Language:

english

File:

PDF, 739 KB

english, 2014

24

Revisiting the Nonreactive Scattering of N 2 off W(100): On the Influence of the Scattering Azimuth on In-Plane Angular Distributions

Pétuya, R., Plötz, P.-A., Crespos, C., Larregaray, P.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 2.34 MB

english, 2014

25

Transformation of CdS Colloids: Sols, Gels, and Precipitates

Gacoin, T., Lahlil, K., Larregaray, P., Boilot, J-P.

Journal:

Journal of Physical Chemistry B

Year:

2001

Language:

english

File:

PDF, 117 KB

english, 2001

26

A Theoretical Study on the Reactions of Hg with Halogens: Atmospheric Implications

Khalizov, Alexei F., Viswanathan, Balakrishnan, Larregaray, Pascal, Ariya, Parisa A.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 70 KB

english, 2003

27

On the Statistical Nature of Collision and Surface-Induced Dissociation: A Theoretical Investigation of Aluminum Clusters †

Larrégaray, Pascal, Peslherbe, Gilles H.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 128 KB

english, 2006

28

Modelling of reagent reorientation and tunneling in the activated exchange reaction N(2D) + H2 → NH + H

Larrégaray, P., Bonnet, L., Rayez, J.-C.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 188 KB

english, 2002

29

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

Bonnet, Laurent, Larrégaray, Pascal, Rayez, Jean-Claude

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 563 KB

english, 2005

30

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

Rivero-Santamaría, A., González-Martínez, M. L., González-Lezana, T., Rubayo-Soneira, J., Bonnet, L., Larrégaray, P.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.42 MB

english, 2011

31

On product state distributions in triatomic unimolecular reactions

Larregaray, P., Bonnet, L., Rayez, J. C.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 389 KB

english, 2002

32

On product state distributions in triatomic unimolecular reactions

Larrégaray, P., Bonnet, L., Rayez, J. C.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 118 KB

english, 2002

33

Statistical product distributions for ultracold reactions in external fields

González-Martínez, Maykel L., Dulieu, Olivier, Larrégaray, Pascal, Bonnet, Laurent

Journal:

Physical Review A

Year:

2014

Language:

english

File:

PDF, 369 KB

english, 2014

34

Dynamics of H2 Eley-Rideal abstraction from W(110): Sensitivity to the representation of the molecule-surface potential

Pétuya, R., Larrégaray, P., Crespos, C., Busnengo, H. F., Martínez, A. E.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 4.65 MB

english, 2014

35

Lattice Response of Quantum Solids to an Impulsive Local Perturbation

Bonacina, L., Larrégaray, P., van Mourik, F., Chergui, M.

Journal:

Physical Review Letters

Year:

2005

Language:

english

File:

PDF, 273 KB

english, 2005

36

On product state distributions in triatomic unimolecular reactions: Beyond phase space theory and the adiabatic assumption

Larregaray, P., Bonnet, L., Rayez, J. C.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 459 KB

english, 2001

37

Energy Dissipation to Tungsten Surfaces upon Eley–Rideal Recombination of N 2 and H 2

Galparsoro, O., Pétuya, R., Juaristi, J. I., Crespos, C., Alducin, M., Larrégaray, P.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 1.39 MB

english, 2015

38

High-harmonic transient grating spectroscopy of NO2 electronic relaxation

Ruf, H., Handschin, C., Ferré, A., Thiré, N., Bertrand, J. B., Bonnet, L., Cireasa, R., Constant, E., Corkum, P. B., Descamps, D., Fabre, B., Larregaray, P., Mével, E., Petit, S., Pons, B., Staedte

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.40 MB

english, 2012

39

The S( 1 D) + o -D 2 Reaction Dynamics at Low Collision Energies: Complementary Crossed Molecular Beam Experiments and Theoretical Investigations

Lara, Manuel, Chefdeville, Simon, Larregaray, Pascal, Bonnet, Laurent, Launay, Jean-Michel, Costes, Michel, Naulin, Christian, Bergeat, Astrid

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 1.48 MB

english, 2016

40

Stereoselectivity as a Probe of Unexpected Reaction Pathways

Bonnet, Laurent, Larrégaray, Pascal, Duguay, Bernard, Rayez, Jean-Claude, Che, Dock-Chil, Kasai, Toshio

Journal:

Bulletin of the Chemical Society of Japan

Year:

2007

Language:

english

File:

PDF, 217 KB

english, 2007

41

Quantum state-resolved differential cross sections for complex-forming chemical reactions: Asymmetry is the rule, symmetry the exception

Larrégaray, Pascal, Bonnet, Laurent

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 420 KB

english, 2015

42

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

Crespos, C., Decock, J., Larrégaray, P., Bonnet, L.

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 1.24 MB

english, 2017

43

Stereodynamics of Diatom Formation through Eley–Rideal Abstraction

Galparsoro, O., Juaristi, J. I., Crespos, C., Alducin, M., Larrégaray, P.

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 3.99 MB

english, 2017

44

A Combined Theoretical and Experimental Investigation of the Kinetics and Dynamics of the O(1D) + D2 Reaction at Low Temperature

Nunez-Reyes, Dianailys, Hickson, Kevin M., Larregaray, P., Bonnet, Claude-Laurent, González-Lezana, Tomás, Suleimanov, Yury V

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.61 MB

english, 2018

45

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

González-Lezana, Tomás, Larrégaray, Pascal, Bonnet, Laurent, Wu, Yanan, Bian, Wensheng

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 601 KB

english, 2018

46

Dynamics of N 2 sticking on W(100): The decisive role of van der Waals interactions

Peña Torres, Alejandro, Busnengo, Heriberto Fabio, Juaristi, J. Iñaki, Larregaray, P., Crespos, Cedric

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.49 MB

english, 2018

47

Energy Dissipation to Tungsten Surfaces upon Hot-Atom and Eley-Rideal Recombination of H 2

Galparsoro, Oihana, Busnengo, Heriberto Fabio, Martinez, Alejandra Elisa, Juaristi, J. Iñaki, alducin, maite, Larregaray, P.

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.97 MB

english, 2018

48

Inelastic Scattering of N2 Off W(001): Reconciling Experiment and Theory at Low Collision Energies

Ibarguen, Cesar, Larregaray, Pascal, Peña-Torres, Alejandro, Crespos, Cedric

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 2.70 MB

english, 2018

49

Transition State Theory: A Reaction Dynamics Tool Applied to Gas-Surface Reactions

Rayez, Jean-Claude, Bonnet, Laurent, Larrégaray, Pascal, Perrier, Aurélie

Journal:

Molecular Science

Year:

2009

Language:

english

File:

PDF, 1.65 MB

english, 2009

50

Energy Dissipation Effects on the Adsorption Dynamics of N 2 on W(100)

Peña-Torres, Alejandro, Busnengo, H. Fabio, Juaristi, Joseba Inaki, Larregaray, Pascal, Crespos, Cedric

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 2.99 MB

english, 2019