PUBLICATIONS

85) T. Gonzalez-Lezana, P. Honvault, Y. Scribano,
Dynamics of
the D++
H2 --> HD + H+
reaction at the low energy regime
submitted.
84) P. Honvault, Y. Scribano,
State-to-state quantum-mechanical calculations of rate coefficients for the
D++
H2 reaction at low temperature
J. Phys. Chem. A, in press (2013).
83) T. Rajagopala Rao, S. Goswami, S. Mahapatra, B. Bussery-Honvault, P.
Honvault,
Time-dependent quantum wave packet dynamics of the C + OH reaction on the first excited
electronic state
J. Chem. Phys. 138, 094318 (2013). PDF.
82) M. Jorfi, T. Gonzalez Lezana, A. Zanchet, P. Honvault, B.
Bussery-Honvault,
Quasiclassical trajectory calculations for the C + OH --> CO + H reaction on
the first excited 12A''
potential energy surface
J. Phys. Chem. A 117, 1872 (2013). PDF.
81) L. Pagani, P. Lesaffre, M. Jorfi, P. Honvault, T. Gonzalez-Lezana, A.
Faure,
Ortho–H2 and the age of
prestellar cores
Astron. Astrophys. 551, A38 (2013). PDF.
80) F. Lique, P. Honvault, A. Faure,
Ortho–para-H2 conversion by hydrogen exchange: comparison of
theory and experiment
J. Chem. Phys. 137, 154303 (2012). PDF.
79) L. Pagani, P. Lesaffre, E. Roueff, M. Jorfi, P. Honvault, T.
Gonzalez-Lezana, A. Faure,
H2, H3+and
the age of molecular clouds and prestellar
cores
Phil. Trans. R. Soc. A, 370, 5200 (2012). PDF.
78) P. Honvault, M. Jorfi, T. Gonzalez-Lezana, A. Faure, L. Pagani,
Erratum:
Ortho-para H2 conversion by proton exchange at low temperature: an accurate
quantum mechanical study
Phys. Rev. Lett. 108, 109903 (2012). PDF.
77) T. Stoecklin, B. Bussery-Honvault, P. Honvault, F. Dayou,
Asymptotic
potentials and ACCSA rate constants for X + OH --> OX + H reaction where
X=O, S or N
Computational and Theoretical Chemistry 990, 39 (2012). PDF.
76) A. Zanchet, T. Gonzalez-Lezana, O. Roncero, M. Jorfi, P. Honvault, M.
Hankel,
An accurate
study of the dynamics of the C+OH reaction on the second excited 14A''
potential energy surface
J. Chem. Phys. 136, 164309 (2012). PDF.
75) V. Wakelam, E. Herbst, J.-C. Loison, I. W. M.
Smith et al.,
A
KInetic Database for Astrochemistry (KIDA)
Astrophysical Journal Supplement Series 199, 21 (2012). PDF.
74) J. Daranlot, M.
Jorfi, C. Xie, A. Bergeat, M. Costes, P. Caubet, D. Xie, H. Guo, P. Honvault,
K.M. Hickson,
Revealing
Atom-Radical Reactivity at Low Temperature Through the N + OH
Reaction
Science 334, 1538
(2011). Link1. Link2.
73) P. Honvault, M. Jorfi, T. Gonzalez-Lezana, A.
Faure, L. Pagani,
Quantum mechanical study of the proton exchange in the ortho-para H2
conversion reaction at low temperature
Phys. Chem. Chem. Phys. 13, 19089 (2011). PDF.
72) P. Defazio, B. Bussery-Honvault, P. Honvault, C.
Petrongolo,
Nonadiabatic quantum dynamics of C(1D)+H2 -->CH+H: Coupled-channel
calculations including Renner-Teller and Coriolis terms
J. Chem. Phys. 135, 114308 (2011). PDF.
71) N. Bulut, O. Roncero, M. Jorfi, P. Honvault.
Accurate time dependent wave packet calculations for the N + OH
reaction
J. Chem. Phys 135, 104307 (2011). PDF.
70) M. Jorfi, P. Honvault,
State-to-state quantum dynamics calculations of the C + OH reaction on the
second excited potential energy surface
J. Phys. Chem. A 115, 8791 (2011). PDF.
69) P. Honvault, M. Jorfi, T.
Gonzalez-Lezana, A. Faure, L. Pagani,
Ortho-para H2 conversion by
proton exchange at low temperature: an accurate quantum mechanical
study
Phys. Rev. Lett. 107, 023201
(2011). PDF.
68) M. Jorfi, P. Honvault,
Quasi-classical trajectory study of the S + OH --> SO + H reaction: from reaction
probability to thermal rate constant
Phys. Chem. Chem. Phys. 13, 8414 (2011). PDF.
67) U. Hincelin, V. Wakelam, F. Hersant, S.
Guilloteau, J.C. Loison, P. Honvault, J. Troe,
Oxygen depletion in dense molecular clouds: a clue to low O2 abundance?
Astron. & Astrophys. 530, A61 (2011). PDF.
66) M. Jorfi, P. Honvault, B. Bussery-Honvault, L.
Banares, N. Bulut,
Influence of ro-vibrational and isotope effects on the dynamics of the C + OD
---> CO + D reaction
Mol. Phys. 109, 543 (2011) . PDF.
65) M. Jorfi, P. Honvault,
Quantum dynamics of the S + OH ---> SO + H reaction
J. Chem. Phys. 133, 144315 (2010). PDF.
64) M. Jorfi, B. Bussery-Honvault, P. Honvault, T.
Stoecklin, P. Larrégaray, P. Halvick,
Theoretical sensitivity of the C + OH ---> CO + H rate constant : the role
of the long range potential
J. Phys. Chem. A 114, 7494 (2010). PDF.
63) P. Defazio, P. Gamallo, M. Gonzalez, S. Akpinar,
B. Bussery-Honvault, P. Honvault, C. Petrongolo,
Quantum dynamics of the C(1D)+HD
and C(1D)+n–D2 reactions on the a1A'
and b1A''
surfaces
J. Chem. Phys.132, 104306 (2010). PDF.
62) N. Balucani, P. Casavecchia, F.J Aoiz, L. Banares,
J.-M. Launay, B. Bussery-Honvault, P. Honvault
The
dynamics of the C(1D)+H2 reaction: a comparison of crossed
molecular beam experiments
with quantum mechanical and quasiclassical trajectory calculations on the
first two singlet
(11A’
and 11A”)
potential energy surfaces
Mol. Phys. 108, 373 (2010). PDF.
61) M. Jorfi, P. Honvault,
Quantum dynamics at the state-to-state level of the C + OH reaction on the
first excited potential energy surface
J. Phys. Chem. A 114, 4742 (2010). PDF.
60) F. Lique, M. Jorfi, P. Honvault, P.
Halvick, S.Y. Lin, H. Guo, D. Xie, P.J. Dagdigian, J. Klos, M.H. Alexander,
O +
OH --> O2
+ H: A key reaction for interstellar chemistry. New theoretical results and
comparison with experiment
J. Chem. Phys.,
Communication 131, 221104 (2009).PDF. On themain page of JCP. Top 20 most downloaded articles.
59) M. Jorfi, P. Honvault,
State-to-state quantum reactive scattering calculations and rate constant for
nitrogen atoms
in collision with NO radicals at low temperatures
J. Phys. Chem. A 113, 10648 (2009). PDF.
58) P. Defazio, C. Petrongolo, B. Bussery-Honvault, P.
Honvault,
Born-Oppenheimer quantum dynamics of the C(1D)+H2 reaction on the CH2 a1A1 and b1B1 surfaces
J. Chem. Phys. 131, 114303 (2009). PDF.
57) M. Jorfi, P. Honvault, P. Halvick,
Quasi-classical trajectory calculations of differential cross sections
and product energy distributions for the N + OH -->NO + H
reaction
J. Chem. Phys. 131, 094302 (2009). PDF.
56) T. Gonzalez-Lezana, P. Honvault, P. G. Jambrina,
F. J. Aoiz, J.-M. Launay
Effects of the rotational excitation of D2 and of the potential energy surface
on the H++
D2
-> HD + D+
reaction
J. Chem. Phys. 131, 044315 (2009). PDF.
55) M. Jorfi, P. Honvault, P. Bargueno, T.
Gonzalez-Lezana, P. Larrégaray, L. Bonnet, P. Halvick,
On
the statistical behavior of the O + OH --> H + O2 reaction: a comparison between
quasi-classical trajectory, quantum-mechanical and statistical
calculations
J. Chem. Phys. 130, 184301 (2009). PDF.
54) A. Zanchet, B. Bussery-Honvault, M. Jorfi, P.
Honvault,
Study
of the C + OH --> CO + H reaction: fully global ab initio potential energy
surfaces
of the 12A''
and 14A''
excited states and non adiabatic couplings
Phys. Chem. Chem. Phys. 11, 6182 (2009). PDF.
53) N. Bulut, A. Zanchet, P. Honvault, B.
Bussery-Honvault, L. Banares,
Time-dependent wave packet and quasiclassical trajectory study of the
C + OH --> CO + H reaction at the state-to-state level
J. Chem. Phys. 130, 194303 (2009). PDF.
52) M. Jorfi, P. Honvault, Ph. Halvick,
Quasiclassical determination of integral cross sections and rate constants for
the N + OH --> NO + H reaction
Chem. Phys. Lett. 471, 65 (2009).PDF.
51) M. Jorfi, P.
Honvault,
State-to-state quantum dynamical study of the N + OH --> NO + H
reaction
J. Phys. Chem. A 113, 2316 (2009).PDF.
50) G. Quéméner, P.
Honvault, J.M. Launay,
Role
of the atom-atom scattering length and symmetrization
in unidimensional ultracold atom-diatom collisions
Eur. Phys. J. D 49, 75 (2008). PDF.
49) M. Jorfi, P. Honvault, Ph. Halvick, S.Y. Lin, H.
Guo,
Quasiclassical trajectory scattering calculations for the O + OH -> H + O2 reaction:
cross sections and rate constants
Chem. Phys. Lett. 462, 53 (2008). PDF.
48) A. Zanchet, Ph. Halvick, B. Bussery-Honvault, P.
Honvault,
Differential cross sections and product energy distributions for the C + OH
-> CO + H reaction
using
a quasi-classical trajectory method
J. Chem. Phys. 128, 204301 (2008). PDF.
47) S.Y. Lin, H. Guo, P. Honvault,
Quantum dynamics of C + OH -> H +
CO reaction
Chem. Phys. Lett. 453, 140 (2008). PDF.
46) D. Ben Abdallah, F. Najar, N. Jaidane, Z. Ben
Lakhdar, P. Honvault,
Ab initio potential energy surfaces for the
study of rotationally inelastic CH + H collisions
Chem. Phys. Lett. 456, 7 (2008). PDF.
45) S.Y. Lin, Z. Sun, H. Guo, D.H. Zhang, P. Honvault, D.
Xie, S.Y. Lee,
Fully Coriolis coupled quantum studies of the H
+ O2 -> OH + O on an
accurate potential energy surface:
integral cross sections and rate constants
J. Phys. Chem. A 112, 602 (2008). PDF.
44) D. Quan, E. Herbst, T. Millar, S.Y. Lin, H. Guo,
P. Honvault, D. Xie,
New theoretical results concerning the
interstellar abundance of molecular oxygen
Astrophys. J., 681(2), 1318 (2008). PDF
43) E. Carmona-Novilo, T. Gonzalez-Lezana, O. Roncero,
P. Honvault, J.-M. Launay, N. Bulut, F. Aoiz, L. Banares, A. Trottier,
E. Wrede,
On the dynamics of the H++
D2(v=0,j=0)
-> HD + D+
reaction: a comparison between theory and experiment
J. Chem. Phys, 128, 014304 (2008). PDF.
42) S.Y. Lin, H. Guo, P. Honvault, C. Xu, D.
Xie,
Accurate quantum
mechanical calculations of differential and integral cross sections
and rate constant for the O + OH reaction using an ab initio potential
energy surface
J. Chem. Phys, 128, 014303 (2008). PDF.
41) A. Zanchet, P. Honvault, B. Bussery-Honvault, P.
Halvick, J.C. Rayez, S.Y. Lin, H. Guo,
Theoretical determination of cross
sections and rate constants for the O + OH -> O2 + H and C + OH
-> CO + H reactions
Molecules in Space & Laboratory conference proceedings,
Paris, May 14-18, 2007, Editors: J.L. Lemaire, F. Combes. Publisher: S. Diana.,
p.118 (2007), PDF.
40) M.T. Cvitas, P.
Soldan, J.M. Hutson, P. Honvault, J.-M. Launay,
Interactions and dynamics in Li + Li2
ultracold collisions
J. Chem. Phys, 127, 074302 (2007). PDF.
39) C. Xu, D. Xie, P.
Honvault, S.Y. Lin, H. Guo,
Rate
constant for the OH + O -> H + O2 reaction on an improved
ab initio potential energy surface and implications for the interstellar
oxygen problem
J. Chem. Phys, 127, 024304 (2007). PDF.
38) P. Honvault, S.Y. Lin, D. Xie, H. Guo,
Differential and integral cross sections for the H + O2 -> O + OH
combustion reaction
J. Phys. Chem. A, 111,
5349 (2007).Letter. PDF.
37) G. Quéméner, J.-M. Launay, P. Honvault,
Ultracold collisions between Li atoms and
Li2
diatoms in high vibrational states
Phys. Rev. A75, 050701(R)
(2007). Rapid Communication. PDF.
36) A. Zanchet, Ph. Halvick, J.-C. Rayez, B.
Bussery-Honvault, P. Honvault,
Cross
sections and rate constants for the C + OH -> CO + H reaction
using
a quasi-classical trajectory method
J. Chem. Phys. 126, 184308 (2007). PDF
35) S.Y. Lin, H. Guo, P. Honvault, D. Xie,
Quantum dynamics of the H + O2 -> O + OH reaction on an accurate
ab initio potential energy surface
J. Phys. Chem. B, 110, 23641 (2006).Letter. PDF
34) A. Zanchet, B. Bussery-Honvault, P. Honvault,
Study
of the C + OH -> CO +H reaction: a fully global
ab initio potential energy surface of the X2A' state
J. Phys. Chem. A 110, 12017 (2006). PDF
33) T. Gonzalez-Lezana, O. Roncero, P. Honvault, J.-M.
Launay, N. Bulut, F.J. Aoiz, L. Banares
A
detailed quantum mechanical and quasiclassical trajectory study on the dynamics
of the H+ + H2 -> H2 + H+
exchange reaction
J. Chem. Phys. 125, 094314 (2006). PDF
32) P. Honvault, B. Bussery-Honvault, J.-M. Launay,
F.J. Aoiz, L. Banares,
Quantum mechanical and quasiclassical trajectory scattering calculations for
the C(1D)+H2
reaction on the second excited 11A" potential energy
surface
J. Chem. Phys. 124, 154314 (2006). PDF
31) N. Balucani, P.
Casavecchia, L. Banares, F.J. Aoiz, T. Gonzalez-Lezana, P. Honvault, J.-M.
Launay,
Experimental and theoretical differential cross sections for the
N(2D) + H2 reaction
J. Phys. Chem. A 110, 817 (2006). PDF
30) M.T. Cvitas, P.
Soldan, J.M. Hutson, P. Honvault, J.-M. Launay,
Ultracold collisions involving heteronuclear alkali metal dimers
Phys. Rev. Lett. 94, 200402 (2005). PDF
29) B.Bussery-Honvault, J. Julien, P. Honvault,
J.-M. Launay,
Global 11A''
potential energy surface of CH2 and quantum dynamics of the sideways
insertion mechanism for the reaction C(1D) + H2
-> CH + H
Phys. Chem. Chem. Phys. 7, 1476 (2005). PDF
28) G. Quéméner, P.
Honvault, J.-M. Launay, P. Soldan, D.E. Potter,
J.M. Hutson,
Ultracold quantum
dynamics: spin-polarized K + K2 collisions with three identical
bosons or fermions
Phys. Rev. A 71, 032722 (2005). PDF
27) M.T. Cvitas, P. Soldan, J.M.
Hutson, P. Honvault, J.-M. Launay,
Ultracold Li + Li2 collisions:
bosonic and fermionic cases
Phys. Rev. Lett. 94, 033201 (2005). PDF
24) N. Balucani, G. Capozza, L. Cartechini, A.
Bergeat, R. Bobbenkamp, P. Casavecchia,
F.J. Aoiz, L. Banares, P. Honvault, B.
Bussery-Honvault, J.-M. Launay
Dynamics of the insertion reaction
C(1D) + H2 : A comparison of crossed molecular
beam experiments with quasiclassical trajectory and quantum mechanical
scattering calculations
Phys. Chem. Chem. Phys. 6, 4957
(2004).PDF. (Hot paper,
27 october 2004).
23) P. Honvault, J.-M.
Launay,
Quantum dynamics of insertion
reactions
in "Theory of Chemical Reaction Dynamics",
Kluwer Academic Publishers, ISBN: 978-1402020551, 187-215 (2004). PS.PDF. Review article.
22) L. Banares, F.J. Aoiz, P.
Honvault, J.-M. Launay,
The dynamics of the S(1D) +
H2 insertion reaction. A combined quantum mechanical
and quasi-classical trajectory study
J. Phys. Chem. A 108, 1616 (2004). PDF.
21) P. Honvault, J.-M.
Launay,
Dynamics of the S(1D) +
H2 -> SH + H reaction :
a quantitative description using an accurate
quantum method
Chem. Phys. Lett. 370, 371 (2003). PDF
20) L. Banares, F.J. Aoiz, P. Honvault, B.
Bussery-Honvault, J.-M. Launay,
Quantum-mechanical and quasi-classical
trajectory study of the C(1D) + H2 reaction
dynamics
J. Chem. Phys. 118, 565 (2003). PDF
19) S.D. Le Picard, P. Honvault,
B. Bussery-Honvault, A. Canosa, S. Laubé, J.-M. Launay,
B.R. Rowe, D. Chastaing, I.R. Sims
Experimental and theoretical study of
intramultiplet transitions in collisions
of Si(3P) and C(3P) with
He
J. Chem. Phys. 117,
10109 (2002). PDF
18) P. Honvault, J.-M. Launay,
P. Soldan, M. T. Cvitas, J.M. Hutson
Quantum dynamics of ultracold alkali+alkali
dimer collisions
Proceedings of the CCP6 workshop on "Interactions of Cold Atoms and
Molecules", 20 (2002).
17) P. Soldan, M. T. Cvitas,
J.M. Hutson, P. Honvault, J.-M. Launay
Quantum dynamics of ultracold Na +
Na2 collisions
Phys. Rev. Lett. 89, 153201 (2002). PDF
16) N. Balucani, L. Cartechini,
G. Capozza, E. Segoloni, P. Casavecchia,
G.G. Volpi, F.J. Aoiz, L. Banares, P. Honvault,
J.-M. Launay
Quantum effects in the differential cross
sections for the insertion reaction N(2D) + H2
Phys. Rev. Lett. 89, 013201 (2002). PDF
15) F.J. Aoiz, L. Banares, J.F.
Castillo, V.J. Herrero, B. Martinez-Haya,
P. Honvault, J.-M. Launay, X. Liu, J.J. Lin, S.A.
Harich, C.C. Wang, X. Yang
The O(1D) + H2 reaction at
56 meV collision energy : a comparison between
quantum mechanical, quasi-classsical trajectory
and crossed beam results
J. Chem. Phys. 116, 10692 (2002). PDF
14) B. Bussery-Honvault, P.
Honvault, J.-M. Launay
A study of the C(1D) + H2
-> CH + H reaction :
global potential energy surface and quantum
dynamics
J. Chem. Phys. 115, 10701 (2001). PDF
13) F.J. Aoiz, L. Banares, J.F.
Castillo, M. Brouard, W. Denzer,
C. Vallance, P. Honvault, J.-M. Launay, A.J.
Dobbyn, P.J. Knowles,
Insertion and abstraction pathways in the
reaction O(1D) + H2 -> OH + H
Phys. Rev. Lett. 86, 1729 (2001). PDF
12) P. Honvault, J.-M.
Launay
A quantum-mechanical study of the dynamics of
the O(1D) + H2 -> OH + H insertion reaction,
J. Chem. Phys. 114, 1057 (2001). Communication. PDF
11) P. Honvault, J.M.
Launay
Quantum chaos in atom-diatom reactive
collisions
Chem. Phys. Lett. 329, 233 (2000). PDF
10) M.C. Bacchus-Montabonel, P. Honvault
Single and double electron capture in boron
collision systems
in "New Trends in Quantum Systems in Chemistry and Physics"
Volume 2, p. 133-142, Kluwer Academic Publishers (2000).
9) P. Honvault, J.-M.
Launay
A quantum-mechanical study of the dynamics of the
N(2D) + H2 -> NH + H reaction
J. Chem. Phys. 111, 6665 (1999). Communication. PDF
8) B. Martinez-Haya, F.J. Aoiz,
L. Banares, P. Honvault, J.-M. Launay
Quantum mechanical and quasiclassical trajectory
study of
state-to-state differential cross sections for the
F + D2 -> DF + D reaction
in the center-of-mass and laboratory
frames,
Phys. Chem. Chem. Phys. 1, 3415 (1999). PDF.
7) P. Honvault, J.-M.
Launay
Effect of spin-orbit corrections on the F +
D2 reaction
Chem. Phys. Lett. 303, 657 (1999). PDF
6) P. Honvault, M.C.
Bacchus-Montabonel, M. Gargaud, R. McCarroll
Charge transfer between Si3+ and helium
at thermal and low energies
Chem. Phys. 238, 401 (1998). PDF
5) S.D. Le Picard, B.
Bussery-Honvault, C. Rebrion-Rowe, P. Honvault,
A. Canosa, J.-M. Launay, B.R. Rowe
Fine structure relaxation of aluminium by atomic
argon between 30 and 300 K :
an experimental and theoretical
study
J. Chem. Phys. 108, 10319 (1998). PDF
4) P. Honvault, J.-M.
Launay
Quantum mechanical study of the F + D2
-> DF + D reaction
Chem. Phys. Lett. 287, 270 (1998). PDF
3) P. Honvault, M .C.
Bacchus-Montabonel, M. Druetta
Ab-initio molecular treatment of electron capture
processes in the B2+ + H collision
Mol. Phys. 91, 223 (1997). PDF
2) P. Honvault, M. Gargaud, M.C.
Bacchus-Montabonel, R. McCarroll
Recombination of O2+ ions by electron
capture from atomic hydrogen
in photo-ionized nebulae,
Astron. Astrophys. 302, 931 (1995). PDF.
1) P. Honvault, M.C.
Bacchus-Montabonel, R. McCarroll
Electron capture by state-selected O2+
ions from atomic hydrogen
J. Phys. B At. Mol. Opt. Phys. 27, 3115 (1994). PDF