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Pascal HONVAULT

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High energy quantum dynamics of the 15 N + o-14 N 14 N rovibrational activation and isotope exchange processes

Grégoire Guillon , Maxence Lepers , Anuj Tak , Tammineni Rajagopala Rao , Pascal Honvault
Journal of Physical Chemistry A, inPress, ⟨10.1021/acs.jpca.3c04074⟩
Journal articles hal-04189780v1

Erratum: Quantum mechanical study of the high-temperature H+ + HD → D+ + H2 reaction for the primordial universe chemistry

Maxence Lepers , Grégoire Guillon , Pascal Honvault
Monthly Notices of the Royal Astronomical Society, 2021, 500 (1), pp.430-431. ⟨10.1093/mnras/staa3146⟩
Journal articles hal-04121818v1

Differential cross sections and product ro-vibrational distributions for 16O+36O2 and 18O+32O2 exchange reactions

Srikanth Korutla , Grégoire Guillon , Pascal Honvault , Rajagopala Rao Tammineni
Chemical Physics Letters, 2021, 776, pp.138648. ⟨10.1016/j.cplett.2021.138648⟩
Journal articles hal-04121779v1

Direct time delay computation applied to the O + O 2 exchange reaction at low energy: Lifetime spectrum of O3* species

Erwan Privat , Grégoire Guillon , Pascal Honvault
The Journal of Chemical Physics, 2021, 154 (10), pp.104303. ⟨10.1063/5.0040717⟩
Journal articles hal-04121812v1
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Quantum dynamics of O 17 in collision with ortho- and para- O 17 O 17

Grégoire Guillon , Maxence Lepers , Pascal Honvault
Physical Review A, 2020, 102 (1), ⟨10.1103/PhysRevA.102.012810⟩
Journal articles hal-02953726v1

Quantum dynamics of O 17 in collision with ortho- and para- O 17 O 17

Grégoire Guillon , Maxence Lepers , Pascal Honvault
Physical Review A, 2020, 102 (1), pp.012810. ⟨10.1103/PhysRevA.102.012810⟩
Journal articles hal-04121826v1
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Collisions moléculaires en phase gazeuse

Grégroire Guillon , Pascal P. Honvault , Maxence Lepers , Francois Lique , Thierry Stoecklin
Reflets de la Physique, 2019, 61, pp.26-31. ⟨10.1051/refdp/201961026⟩
Journal articles hal-02116112v1

Extension of the Launay Quantum Reactive Scattering Code and Direct Computation of Time Delays

Erwan Privat , Grégoire Guillon , Pascal Honvault
Journal of Chemical Theory and Computation, 2019, 15 (10), pp.5194-5198. ⟨10.1021/acs.jctc.9b00635⟩
Journal articles hal-04121837v1

Quantum mechanical study of the high-temperature H+ + HD → D+ + H2 reaction for the primordial universe chemistry

Maxence Lepers , Grégoire Guillon , Pascal Honvault
Monthly Notices of the Royal Astronomical Society, 2019, 488 (4), pp.4732-4739. ⟨10.1093/mnras/stz1797⟩
Journal articles hal-04121834v1

Dependence on collision energy of the stereodynamical properties of the 18 O + 32 O 2 exchange reaction

E. Privat , G. Guillon , P. Honvault
Molecular Physics, 2018, 116 (12), pp.1635-1641. ⟨10.1080/00268976.2018.1438676⟩
Journal articles hal-04121869v1

A theoretical study on the C + OH reaction dynamics and product energy disposal with vibrationally excited reagent

Sugata Goswami , Jayakrushna Sahoo , Tammineni Rajagopala Rao , Béatrice Bussery-Honvault , Pascal Honvault
The European Physical Journal D : Atomic, molecular, optical and plasma physics, 2018, 72 (12), pp.225. ⟨10.1140/epjd/e2018-90424-0⟩
Journal articles hal-04121850v1

First-Principles Computed Rate Constant for the O + O 2 Isotopic Exchange Reaction Now Matches Experiment

Grégoire Guillon , Pascal Honvault , Roman Kochanov , Vladimir Tyuterev
Journal of Physical Chemistry Letters, 2018, 9 (8), pp.1931 - 1936. ⟨10.1021/acs.jpclett.8b00661⟩
Journal articles hal-01926296v1

Quantum mechanical study of the 16 O + 18 O 18 O → 16 O 18 O + 18 O exchange reaction: Integral cross sections and rate constants

P. Honvault , G. Guillon , R. Kochanov , V. Tyuterev
The Journal of Chemical Physics, 2018, 149 (21), pp.214304. ⟨10.1063/1.5053469⟩
Journal articles hal-04121856v1

Quantum dynamics of 16O in collision with ortho- and para-17O17O

Grégoire Guillon , Pascal Honvault
Chemical Physics Letters, 2017, 689, pp.62-67. ⟨10.1016/j.cplett.2017.09.063⟩
Journal articles hal-04159146v1

State-to-state chemistry and rotational excitation of CH+ in photon-dominated regions

A. Faure , P. Halvick , T. Stoecklin , P. Honvault , M. Epée Epée
Monthly Notices of the Royal Astronomical Society, 2017, 469 (1), pp.612-620. ⟨10.1093/mnras/stx892⟩
Journal articles hal-04465621v1

Effect of internal excitations of reagent diatom on initial state-selected dynamics of C + OH reaction on its second excited (1 4 A ″) electronic state

Sugata Goswami , B. Bussery-Honvault , P. Honvault , S. Mahapatra
Molecular Physics, 2017, 115 (21-22), pp.2658-2672. ⟨10.1080/00268976.2017.1296195⟩
Journal articles hal-04159151v1

Rovibrational transitions of H 2 by collision with H + at high temperature

T. González-Lezana , P. Honvault
Monthly Notices of the Royal Astronomical Society, 2017, pp.stx192. ⟨10.1093/mnras/stx192⟩
Journal articles hal-04159158v1

Quantum stereodynamics of the 18 O + 16 O 16 O → 16 O 18 O + 16 O exchange reaction at low collision energy

Erwan Privat , Grégoire Guillon , Pascal Honvault
Chemical Physics Letters, 2017, 685, pp.427-431. ⟨10.1016/j.cplett.2017.08.004⟩
Journal articles hal-04159149v1
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State-to-state chemistry and rotational excitation of CH+ in photon-dominated regions

A. Faure , P. Halvick , T. Stoecklin , P. Honvault , M. Epée Epée
Monthly Notices of the Royal Astronomical Society, 2017, 469 (1), pp.612 - 620. ⟨10.1093/mnras/stx892⟩
Journal articles hal-01928801v1

Quantum Dynamics of the 17 O + 32 O 2 Collision Process

Grégoire Guillon , Pascal Honvault
Journal of Physical Chemistry A, 2016, 120 (42), pp.8254-8258. ⟨10.1021/acs.jpca.6b07547⟩
Journal articles hal-04465628v1

Quantum Dynamics of the 17 O + 32 O 2 Collision Process

Grégoire Guillon , Pascal Honvault
Journal of Physical Chemistry A, 2016, 120 (42), pp.8254-8258. ⟨10.1021/acs.jpca.6b07547⟩
Journal articles hal-04159170v1

Density of optimal packings of three ellipses in a square.

Pascal Honvault
Journal for Geometry and Graphics, 2015, 19 (2), pp.201-209
Journal articles hal-03620575v1

THE 2014 KIDA NETWORK FOR INTERSTELLAR CHEMISTRY

V. Wakelam , J.-C. Loison , E. Herbst , B. Pavone , A. Bergeat
The Astrophysical Journal Supplement Series, 2015, 217 (2), pp.20. ⟨10.1088/0067-0049/217/2/20⟩
Journal articles hal-04159196v1

Huge Quantum Symmetry Effect in the O + O 2 Exchange Reaction

Tammineni Rajagopala Rao , Grégoire Guillon , Susanta Mahapatra , Pascal Honvault
Journal of Physical Chemistry Letters, 2015, 6 (4), pp.633-636. ⟨10.1021/jz5026257⟩
Journal articles hal-04465635v1

Quantum Dynamics of the 18 O + 36 O 2 Collision Process

Grégoire Guillon , Tammineni Rajagopala Rao , Susanta Mahapatra , Pascal Honvault
Journal of Physical Chemistry A, 2015, 119 (50), pp.12512-12516. ⟨10.1021/acs.jpca.5b08163⟩
Journal articles hal-04159176v1

THE 2014 KIDA NETWORK FOR INTERSTELLAR CHEMISTRY

V. Wakelam , J.-C. Loison , E. Herbst , B. Pavone , A. Bergeat
The Astrophysical Journal Supplement Series, 2015, 217 (2), pp.20. ⟨10.1088/0067-0049/217/2/20⟩
Journal articles hal-04465639v1

Huge Quantum Symmetry Effect in the O + O 2 Exchange Reaction

Tammineni Rajagopala Rao , Grégoire Guillon , Susanta Mahapatra , Pascal Honvault
Journal of Physical Chemistry Letters, 2015, 6 (4), pp.633-636. ⟨10.1021/jz5026257⟩
Journal articles hal-04159192v1

Differential Cross Sections and Product Rovibrational Distributions for 16 O + 32 O 2 and 18 O + 36 O 2 Collisions

Tammineni Rajagopala Rao , Grégoire Guillon , Susanta Mahapatra , Pascal Honvault
Journal of Physical Chemistry A, 2015, 119 (46), pp.11432-11439. ⟨10.1021/acs.jpca.5b08638⟩
Journal articles hal-04159174v1

Quantum dynamics of 16 O + 36 O 2 and 18 O + 32 O 2 exchange reactions

T. Rajagopala Rao , G. Guillon , S. Mahapatra , P. Honvault
The Journal of Chemical Physics, 2015, 142 (17), pp.174311. ⟨10.1063/1.4919860⟩
Journal articles hal-04159181v1

Low temperature rate coefficients of the H + CH+ → C+ + H2 reaction: New potential energy surface and time-independent quantum scattering

Ghofran Werfelli , Philippe Halvick , Pascal Honvault , Boutheïna Kerkeni , Thierry Stoecklin
The Journal of Chemical Physics, 2015, 143 (11), ⟨10.1063/1.4931103⟩
Journal articles hal-04159180v1
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Ortho–para-H 2 conversion processes in astrophysical media

François Lique , Pascal Honvault , Alexandre Faure
International Reviews in Physical Chemistry, 2014, 33 (1), pp.125-149. ⟨10.1080/0144235X.2014.897443⟩
Journal articles hal-04159232v1

The D + + H 2 Reaction: Differential and Integral Cross Sections at Low Energy and Rate Constants at Low Temperature

Tomás González-Lezana , Yohann Scribano , Pascal Honvault
Journal of Physical Chemistry A, 2014, 118 (33), pp.6416-6424. ⟨10.1021/jp501446y⟩
Journal articles hal-04159230v1

Time-Dependent Quantum Wave Packet Dynamics of S + OH Reaction on Its Electronic Ground State

Sugata Goswami , T. Rajagopala Rao , S. Mahapatra , B. Bussery-Honvault , P. Honvault
Journal of Physical Chemistry A, 2014, 118 (31), pp.5915-5926. ⟨10.1021/jp504757g⟩
Journal articles hal-04159209v1

The D$^+$ + H$_2$ Reaction: Differential and Integral Cross Sections at Low Energy and Rate Constants at Low Temperature

Tomas Gonzalez Lezana , Yohann Scribano , Pascal Honvault
The Journal of physical chemistry, 2014, pp.ASAP. ⟨10.1021/jp501446y⟩
Journal articles hal-01002038v1

Ortho–para-H 2 conversion processes in astrophysical media

François Lique , Pascal Honvault , Alexandre Faure
International Reviews in Physical Chemistry, 2014, 33 (1), pp.125-149. ⟨10.1080/0144235X.2014.897443⟩
Journal articles hal-04465649v1

A comparative account of quantum dynamics of the H+ + H2 reaction at low temperature on two different potential energy surfaces

T. Rajagopala Rao , S. Mahapatra , P. Honvault
The Journal of Chemical Physics, 2014, 141 (6), ⟨10.1063/1.4892043⟩
Journal articles hal-04159202v1

Quantum dynamical study of the O(1 D ) + CH4 → CH3 + OH atmospheric reaction

R. Ben Bouchrit , M. Jorfi , D. Ben Abdallah , N. Jaidane , M. González
The Journal of Chemical Physics, 2014, 140 (24), ⟨10.1063/1.4885276⟩
Journal articles hal-04159229v1

The H + + H 2 reaction

Tomás González-Lezana , Pascal Honvault
International Reviews in Physical Chemistry, 2014, 33 (3), pp.371-395. ⟨10.1080/0144235X.2014.943470⟩
Journal articles hal-04159225v1
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Ortho-H 2 and the age of prestellar cores

L. Pagani , Pierre Lesaffre , M. Jorfi , P. Honvault , T. Gonzalez-Lezana
Astronomy and Astrophysics - A&A, 2013, 551, pp.A38. ⟨10.1051/0004-6361/201117161⟩
Journal articles hal-02524771v1

Quasiclassical Trajectory and Statistical Quantum Calculations for the C + OH → CO + H Reaction on the First Excited 1 2 A″ Potential Energy Surface

M. Jorfi , T. González-Lezana , A. Zanchet , P. Honvault , B. Bussery-Honvault
Journal of Physical Chemistry A, 2013, 117 (9), pp.1872-1879. ⟨10.1021/jp309764g⟩
Journal articles hal-04159252v1

Correction to “State-to-State Quantum Mechanical Calculations of Rate Coefficients for the D + + H 2 → HD + H + Reaction at Low Temperature”

P. Honvault , Y. Scribano
Journal of Physical Chemistry A, 2013, 117 (49), pp.13205-13205. ⟨10.1021/jp4113377⟩
Journal articles hal-04159235v1

State-to-State Quantum Mechanical Calculations of Rate Coefficients for the D$^+$ + H$_2$ → HD + H$^+$ Reaction at Low Temperature

P. Honvault , Yohann Scribano
The Journal of physical chemistry, 2013, 10.1021/jp3124549. ⟨10.1021/jp3124549⟩
Journal articles hal-00801244v1

Ortho-H 2 and the age of prestellar cores

L. Pagani , P. Lesaffre , M. Jorfi , P. Honvault , T. González-Lezana
Astronomy and Astrophysics - A&A, 2013, 551, pp.A38. ⟨10.1051/0004-6361/201117161⟩
Journal articles hal-04465660v1

Dynamics of the D+ + H2 → HD + H+ reaction at the low energy regime by means of a statistical quantum method

Tomás González-Lezana , Pascal Honvault , Yohann Scribano
The Journal of Chemical Physics, 2013, 139 (5), ⟨10.1063/1.4816638⟩
Journal articles hal-04465655v1

State-to-State Quantum Mechanical Calculations of Rate Coefficients for the D + + H 2 → HD + H + Reaction at Low Temperature

P. Honvault , Y. Scribano
Journal of Physical Chemistry A, 2013, 117 (39), pp.9778-9784. ⟨10.1021/jp3124549⟩
Journal articles hal-04465659v1
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Dynamics of the D$^+$ + H$_2$ → HD + H$^+$ Reaction at the Low Energy Regime by Means of a Statistical Quantum Method

T. Gonzalez-Lezana , P. Honvault , Yohann Scribano
The Journal of Chemical Physics, 2013, 139 (5), pp.054301. ⟨10.1063/1.4816638⟩
Journal articles hal-00853698v1

Time-dependent quantum wave packet dynamics of the C + OH reaction on the excited electronic state

T. Rajagopala Rao , Sugata Goswami , S. Mahapatra , B. Bussery-Honvault , P. Honvault
The Journal of Chemical Physics, 2013, 138 (9), ⟨10.1063/1.4793395⟩
Journal articles hal-04159240v1

A KINETIC DATABASE FOR ASTROCHEMISTRY (KIDA)

V. Wakelam , E. Herbst , J.-C. Loison , I. Smith , V. Chandrasekaran
The Astrophysical Journal Supplement Series, 2012, 199 (1), pp.21. ⟨10.1088/0067-0049/199/1/21⟩
Journal articles hal-04465684v1

H 2 , H 3 + and the age of molecular clouds and prestellar cores

L. Pagani , P. Lesaffre , E. Roueff , M. Jorfi , P. Honvault
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2012, 370 (1978), pp.5200-5212. ⟨10.1098/rsta.2012.0027⟩
Journal articles hal-04465670v1

An accurate study of the dynamics of the C plus OH reaction on the second excited 1(4)A '' potential energy surface

A. Zanchet , T. Gonzalez-Lezana , O. Roncero , M. Jorfi , P. Honvault
The Journal of Chemical Physics, 2012, 136 (16), pp.164309. ⟨10.1063/1.4705426⟩
Journal articles hal-00761313v1

Ortho–para-H2 conversion by hydrogen exchange: Comparison of theory and experiment

François Lique , Pascal Honvault , Alexandre Faure
The Journal of Chemical Physics, 2012, 137 (15), ⟨10.1063/1.4758791⟩
Journal articles hal-04465667v1

A KInetic Database for Astrochemistry (KIDA)

Valentine Wakelam , E. Herbst , J. -C. Loison , I. W. M. Smith , V. Chandrasekaran
The Astrophysical Journal Supplement, 2012, 199 (1), pp.21. ⟨10.1088/0067-0049/199/1/21⟩
Journal articles hal-00664833v1

Erratum: Otho-Para H 2 Conversion by Proton Exchange at Low Temperature: An Accurate Quantum Mechanical Study [Phys. Rev. Lett. 107 , 023201 (2011)]

P. Honvault , M. Jorfi , T. González-Lezana , A. Faure , L. Pagani
Physical Review Letters, 2012, 108 (10), pp.109903. ⟨10.1103/PhysRevLett.108.109903⟩
Journal articles hal-04465673v1

An accurate study of the dynamics of the C+OH reaction on the second excited 14 A ″ potential energy surface

A. Zanchet , T. González-Lezana , O. Roncero , M. Jorfi , P. Honvault
The Journal of Chemical Physics, 2012, 136 (16), ⟨10.1063/1.4705426⟩
Journal articles hal-04465679v1

Asymptotic potentials and rate constants in the adiabatic capture centrifugal sudden approximation for X+OH(X2Π)→OX+H(2S) reactions where X=O(3P), S(3P) or N(4S)

Thierry Stoecklin , Béatrice Bussery-Honvault , Pascal Honvault , F. Dayou
Computational and Theoretical Chemistry, 2012, 990, pp.39-46. ⟨10.1016/j.comptc.2011.12.025⟩
Journal articles hal-04465677v1

H-2, H-3(+) and the age of molecular clouds and prestellar cores

L. Pagani , Pierre Lesaffre , E. Roueff , M. Jorfi , Pascal Honvault
Philosophical Transactions of the Royal Society of London. A (1887–1895), 2012, 370, pp.5200--5212. ⟨10.1098/rsta.2012.0027⟩
Journal articles hal-00761627v1
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Erratum: Otho-Para H 2 Conversion by Proton Exchange at Low Temperature: An Accurate Quantum Mechanical Study [Phys. Rev. Lett. 107 , 023201 (2011)]

P. Honvault , M. Jorfi , T. Gonzalez-Lezana , A. Faure , L. Pagani
Physical Review Letters, 2012, 108 (10), ⟨10.1103/PhysRevLett.108.109903⟩
Journal articles hal-02870226v1

Ortho-para-H-2 conversion by hydrogen exchange: Comparison of theory and experiment

Francois Lique , Pascal Honvault , Alexandre Faure
The Journal of Chemical Physics, 2012, 137, pp.154303. ⟨10.1063/1.4758791⟩
Journal articles hal-00761625v1

Asymptotic potentials and rate constants in the adiabatic capture centrifugal sudden approximation for X + OH(X-2 Pi) -> OX + H(S-2) reactions where X = O(P-3), S(P-3) or N(S-4)

Thierry Stoecklin , Beatrice Bussery-Honvault , Pascal Honvault , F. Dayou
Computational and Theoretical Chemistry, 2012, 990, pp.39--46. ⟨10.1016/j.comptc.2011.12.025⟩
Journal articles hal-00761311v1

O r t h o − P a r a H 2 Conversion by Proton Exchange at Low Temperature: An Accurate Quantum Mechanical Study

P. Honvault , M. Jorfi , T. González-Lezana , A. Faure , L. Pagani
Physical Review Letters, 2011, 107 (2), pp.023201. ⟨10.1103/PHYSREVLETT.107.023201⟩
Journal articles hal-04465721v1

Quasi-classical trajectory study of the S + OH → SO + H reaction: from reaction probability to thermal rate constant

Mohamed Jorfi , Pascal Honvault
Physical Chemistry Chemical Physics, 2011, 13 (18), pp.8414. ⟨10.1039/C0CP02538K⟩
Journal articles hal-04465724v1

State-to-State Quantum Dynamics Calculations of the C + OH Reaction on the Second Excited Potential Energy Surface

Mohamed M. Jorfi , Pascal Honvault
Journal of Physical Chemistry A, 2011, 115, pp.8791. ⟨10.1021/jp202879n⟩
Journal articles hal-00680468v1

Influence of ro-vibrational and isotope effects on the dynamics of the C( 3 P )+ OD( X 2 Π) → CO( X 1 Σ + ) + D( 2 S ) reaction

Mohamed Jorfi , Pascal Honvault , Béatrice Bussery-Honvault , Luis Bañares , Niyazi Bulut
Molecular Physics, 2011, 109 (4), pp.543-550. ⟨10.1080/00268976.2010.534739⟩
Journal articles hal-04465735v1

Oxygen depletion in dense molecular clouds: a clue to a low O2 abundance?

U. Hincelin , Valentine Wakelam , F. Hersant , S. Guilloteau , J. -C. Loison
Astronomy and Astrophysics - A&A, 2011, 530, pp.id.A61. ⟨10.1051/0004-6361/201016328⟩
Journal articles hal-00587021v1

Quasi-classical trajectory study of the S + OH -> SO + H reaction: from reaction probability to thermal rate constant

M. Jorfi , P. Honvault
Physical Chemistry Chemical Physics, 2011, 13 (18), pp.8414-8421. ⟨10.1039/C0CP02538K⟩
Journal articles hal-00744952v1

Nonadiabatic quantum dynamics of C(1 D )+H2→CH+H: Coupled-channel calculations including Renner-Teller and Coriolis terms

Paolo Defazio , Béatrice Bussery-Honvault , Pascal Honvault , Carlo Petrongolo
The Journal of Chemical Physics, 2011, 135 (11), ⟨10.1063/1.3636083⟩
Journal articles hal-04465695v1

Accurate time dependent wave packet calculations for the N + OH reaction

Niyazi Bulut , Octavio Roncero , Mohamed Jorfi , Pascal Honvault
The Journal of Chemical Physics, 2011, 135 (10), ⟨10.1063/1.3633240⟩
Journal articles hal-04465703v1

Quantum mechanical study of the proton exchange in the ortho–para H2 conversion reaction at low temperature

P. Honvault , M. Jorfi , T. González-Lezana , A. Faure , L. Pagani
Physical Chemistry Chemical Physics, 2011, 13 (42), pp.19089. ⟨10.1039/C1CP21232J⟩
Journal articles hal-04465693v1

Oxygen depletion in dense molecular clouds: a clue to a low O 2 abundance?

U. Hincelin , V. Wakelam , F. Hersant , S. Guilloteau , J. Loison
Astronomy and Astrophysics - A&A, 2011, 530, pp.A61. ⟨10.1051/0004-6361/201016328⟩
Journal articles hal-04465731v1

State-to-State Quantum Dynamics Calculations of the C + OH Reaction on the Second Excited Potential Energy Surface

M. Jorfi , P. Honvault
Journal of Physical Chemistry A, 2011, 115 (32), pp.8791-8796. ⟨10.1021/jp202879n⟩
Journal articles hal-04465709v1

Quantum mechanical study of the proton exchange in the ortho-para H2 conversion reaction at low temperature

Pascal Honvault , Mohamed M. Jorfi , Tomas Gonzalez-Lezana , Alexandre Faure , Laurent Pagani
Physical Chemistry Chemical Physics, 2011, 13, pp.19089. ⟨10.1039/c1cp21232j⟩
Journal articles hal-00680480v1

State-to-State Quantum Dynamics Calculations of the C plus OH Reaction on the Second Excited Potential Energy Surface

M. Jorfi , P. Honvault
Journal of Physical Chemistry A, 2011, 115 (32), pp.8791-8796. ⟨10.1021/jp202879n⟩
Journal articles hal-00732965v1

Accurate time dependent wave packet calculations for the N plus OH reaction

N. Bulut , O. Roncero , M. Jorfi , P. Honvault
The Journal of Chemical Physics, 2011, 135 (10), pp.104307
Journal articles hal-00749089v1

Quasi-classical trajectory study of the S + OH --> SO + H reaction: from reaction probability to thermal rate constant

Mohamed M. Jorfi , Pascal Honvault
Physical Chemistry Chemical Physics, 2011, 13, pp.8414. ⟨10.1039/c0cp02538k⟩
Journal articles hal-00680461v1

Revealing Atom-Radical Reactivity at Low Temperature Through the N + OH Reaction

Julien Daranlot , Mohamed Jorfi , Changjian Xie , Astrid Bergeat , Michel Costes
Science, 2011, 334 (6062), pp.1538-1541. ⟨10.1126/science.1213789⟩
Journal articles hal-04159254v1

Quantum mechanical study of the proton exchange in the ortho-para H-2 conversion reaction at low temperature

P. Honvault , M. Jorfi , T. Gonzalez-Lezana , A. Faure , Pagani L.
Physical Chemistry Chemical Physics, 2011, 13 (42), pp.19089-19100
Journal articles hal-00728323v1

Influence of ro-vibrational and isotope effects on the dynamics of the C + OD → CO + D reaction

M. Jorfi , P. Honvault , B. Bussery-Honvault , L. Banares , N. Bulut
Molecular Physics, 2011, 109 (4), pp.543-550. ⟨10.1080/00268976.2010.534739⟩
Journal articles hal-00728329v1
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Ortho-Para H2 Conversion by Proton Exchange at Low Temperature: An Accurate Quantum Mechanical Study

P. Honvault , M. Jorfi , T. González-Lezana , A. Faure , L. Pagani
Physical Review Letters, 2011, 107 (1), pp.23201. ⟨10.1103/PHYSREVLETT.107.023201⟩
Journal articles hal-00633371v1

Nonadiabatic quantum dynamics of C(1D)+H2 --> CH+H : Coupled-channel calculations including Renner-Teller and Coriolis terms

Paolo P. Defazio , Béatrice B. Bussery-Honvault , Pascal Honvault , Carlo C. Petrongolo
The Journal of Chemical Physics, 2011, 135 (11), pp.114308. ⟨10.1063/1.3636083⟩
Journal articles hal-00680476v1
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Influence of ro-vibrational and isotope effects on the dynamics of the C(^3P) + OD(X^2Pi) ---> CO(X^1 \Sigma^+) + D(^2S) reaction

Mohamed Jorfi , Pascal Honvault , Beatrice Bussery-Honvault , Luis Banares , Niyazi Bulut
Molecular Physics, 2010, pp.1. ⟨10.1080/00268976.2010.534739⟩
Journal articles hal-00650360v1

Theoretical Sensitivity of the C(3P) + OH(X2Π)→ CO(X1Σ+) + H(2S) Rate Constant: The Role of the Long-Range Potential

M. Jorfi , B. Bussery-Honvault , P. Honvault , Th. Stoecklin , P. Larrégaray
Journal of Physical Chemistry A, 2010, 114 (28), pp.7494-7499. ⟨10.1021/jp1037377⟩
Journal articles hal-00557639v1

Ab initio molecular treatment of electron capture processes in the B 2+ ++ H collision

Pascal Honvault , M. Bacchus-Montabonel , M. Druetta
Molecular Physics, 2010, 91 (2), pp.223-228. ⟨10.1080/002689797171535⟩
Journal articles hal-04159296v1

Quantum dynamics at the state-to-state level of the C + OH reaction on the first excited potential energy surface

M. Jorfi , P. Honvault
Journal of Physical Chemistry A, 2010, 114, pp.4742. ⟨10.1021/jp908963k⟩
Journal articles hal-00483102v1

Quantum dynamics of the S + OH → SO + H reaction

M. Jorfi , P. Honvault
The Journal of Chemical Physics, 2010, 133 (14), pp.144315. ⟨10.1063/1.3503502⟩
Journal articles hal-00556966v1

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

Nadia Balucani , Piergiorgio Casavecchia , F.-J. Aoiz , Luis Bañares , Jean-Michel Launay
Molecular Physics, 2010, 108 (3-4), pp.373-380. ⟨10.1080/00268970903476696⟩
Journal articles hal-00473133v1

Quantum dynamics on the C(1D) + HD and C(1D) + n-D2 reactions on the a 1A' and b 1A" surfaces

P. Defazio , P. Gamallo , M. Gonzalez , S. Akpinar , B. Bussery-Honvault
The Journal of Chemical Physics, 2010, 132 (10), pp.104306
Journal articles hal-00473136v1

State-to-state quantum reactive scattering calculations and rate constant for nitrogen atoms in collision with NO radicals at low temperatures

M. Jorfi , P. Honvault
Journal of Physical Chemistry A, 2009, 113, pp.10648. ⟨10.1021/jp907865a⟩
Journal articles hal-00429783v1

Quasi-classical trajectory calculations of differential cross sections and product energy distributions for the N + OH -->NO + H reaction

M. Jorfi , P. Honvault , P. Halvick
The Journal of Chemical Physics, 2009, 131, pp.094302. ⟨10.1063/1.3218843⟩
Journal articles hal-00419922v1

Quasiclassical determination of integral cross sections and rate constants for the N + OH --> NO + H reaction

M. Jorfi , P. Honvault , Ph. Halvick
Chemical Physics Letters, 2009, 471, pp.65. ⟨10.1016/j.cplett.2009.02.029⟩
Journal articles hal-00370867v1

Effects of the rotational excitation of D2 and of the potential energy surface on the H+ + D2 \rightarrow HD + D+ reaction

Tomas Gonzalez Lezana , Pascal P. Honvault , P.G Jambrina , F Javier Aoiz , Jean-Michel Launay
The Journal of Chemical Physics, 2009, 131, pp.044315
Journal articles hal-00419937v1

Born-Oppenheimer quantum dynamics of the C(1D)+H2 reaction on the CH2 a1A1 and b1B1 surfaces

P. Defazio , C. Petrongolo , B. Bussery-Honvault , P. Honvault
The Journal of Chemical Physics, 2009, 131 (11), pp.114303. ⟨10.1063/1.3226573⟩
Journal articles hal-00419950v1

On the statistical behavior of the O + OH --> H + O2 reaction: a comparison between quasi-classical trajectory, quantum scattering and statistical calculations

M. Jorfi , P. Honvault , P. Bargueno , T. Gonzalez-Lezana , P. Larrégaray
The Journal of Chemical Physics, 2009, 130, pp.184301. ⟨10.1063/1.3128537⟩
Journal articles hal-00388896v1

Time-dependent wave packet and quasiclassical trajectory study of the C + OH ---> CO + H reaction at the state-to-state level

N. Bulut , A. Zanchet , P. Honvault , B. Bussery-Honvault , L. Banares
The Journal of Chemical Physics, 2009, 130, pp.194303. ⟨10.1063/1.3125956⟩
Journal articles hal-00388898v1

Effects of the rotational excitation of D[sub 2] and of the potential energy surface on the H[sup +]+D[sub 2]→HD+D[sup +] reaction

T. González-Lezana , P. Honvault , P. G. Jambrina , F. J. Aoiz , Jean-Michel Launay
The Journal of Chemical Physics, 2009, 131 (4), pp.044315. ⟨10.1063/1.3183538⟩
Journal articles hal-01082921v1

State-to-state quantum dynamical study of the N + OH --> NO + H reaction

M. Jorfi , P. Honvault
Journal of Physical Chemistry A, 2009, 113, pp.2316. ⟨10.1021/jp811237z⟩
Journal articles hal-00370862v1

O + OH --> O2 + H: A key reaction for interstellar chemistry. New theoretical results and comparison with experiment

F. Lique , M. Jorfi , P. Honvault , P. Halvick , S.Y. Lin
The Journal of Chemical Physics, 2009, 131, pp.221104. ⟨10.1063/1.3274226⟩
Journal articles hal-00455498v1

Role of the atom-atom scattering length and symmetrization in unidimensional ultracold atom-diatom collisions

Goulven Erwan Quéméner , Pascal Honvault , Jean-Michel Launay
The European Physical Journal D : Atomic, molecular, optical and plasma physics, 2008, 49, pp.75
Journal articles hal-00336904v1

On the dynamics of the H[sup +]+D[sub 2](v=0,j=0)→HD+D[sup +] reaction: A comparison between theory and experiment

Estela Carmona-Novillo , Tomás González-Lezana , Octavio Roncero , Pascal Honvault , Jean-Michel Launay
The Journal of Chemical Physics, 2008, 128 (1), pp.014304. ⟨10.1063/1.2812555⟩
Journal articles hal-01082924v1

Ab initio potential energy surfaces for the study of rotationally inelastic CH + H collisions

D. Ben Abdallah , F. Najar , N. Jaidane , Z. Ben Lakhdar , P. Honvault
Chemical Physics Letters, 2008, 456, pp.7. ⟨10.1016/j.cplett.2008.03.005⟩
Journal articles hal-00276451v1

Cross sections and rate constants for the C(3P)+OH(X 2Pi)-->CO(X 1Sigma+)+H(2S) reaction using a quasiclassical trajectory method.

Alexandre Zanchet , Philippe Halvick , Jean-Claude Rayez , Béatrice Bussery-Honvault , Pascal Honvault
The Journal of Chemical Physics, 2007, 126 (18), pp.184308. ⟨10.1063/1.2731788⟩
Journal articles hal-00908268v1
Image document

Ultracold collisions between Li atoms and Li2 diatoms in high vibrational states

Goulven Quéméner , Jean-Michel Launay , Pascal Honvault
Physical Review A : Atomic, molecular, and optical physics [1990-2015], 2007, 75, pp.50701. ⟨10.1103/PHYSREVA.75.050701⟩
Journal articles hal-00908166v1

Interactions and dynamics in Li+Li2 ultracold collisions.

Marko T. Cvitas , Pavel Soldán , Jeremy M Hutson , Pascal Honvault , Jean-Michel Launay
The Journal of Chemical Physics, 2007, 127 (7), pp.074302. ⟨10.1063/1.2752162⟩
Journal articles hal-00908216v1

Interactions and dynamics in Li + Li2 ultracold collisions

Marko T. Cvitas , P. Soldan , J. M. Hutson , Pascal Honvault , Jean-Michel Launay
The Journal of Chemical Physics, 2007, 127, pp.074302. ⟨10.1063/1.2752162⟩
Journal articles hal-00185998v1

A detailed quantum mechanical and quasiclassical trajectory study on the dynamics of the H[sup +]+H[sub 2]→H[sub 2]+H[sup +] exchange reaction

Tomás González-Lezana , Octavio Roncero , Pascal Honvault , Jean-Michel Launay , Niyazi Bulut
The Journal of Chemical Physics, 2006, 125 (9), pp.094314. ⟨10.1063/1.2336224⟩
Journal articles hal-01082947v1

Quantum mechanical and quasiclassical trajectory scattering calculations for the C([sup 1]D)+H[sub 2] reaction on the second excited 1 [sup 1]A[sup ʺ] potential energy surface

P. Honvault , B. Bussery-Honvault , Jean-Michel Launay , F. J. Aoiz , L. Bañares
The Journal of Chemical Physics, 2006, 124 (15), pp.154314. ⟨10.1063/1.2187007⟩
Journal articles hal-01082970v1

Ultracold Collisions Involving Heteronuclear Alkali Metal Dimers

Marko Cvitaš , Pavel Soldán , Jeremy Hutson , Pascal Honvault , Jean-Michel Launay
Physical Review Letters, 2005, 94 (20), pp.200402. ⟨10.1103/PhysRevLett.94.200402⟩
Journal articles hal-01082994v1

Ultracold quantum dynamics: spin-polarized K + K_2 collisions with three identical bosons or fermions

G. Quéméner , P. Honvault , Jean-Michel Launay , P. Soldan , D. E. Potter
Physical Review A : Atomic, molecular, and optical physics [1990-2015], 2005, 71, pp.0327722
Journal articles hal-00136010v1

Ultracold quantum dynamics: Spin-polarized K+K_{2} collisions with three identical bosons or fermions

Goulven Quéméner , Pascal Honvault , Jean-Michel Launay , Pavel Soldan , D. E. Potter
Physical Review, 2005, 71 (3), pp.032722. ⟨10.1103/PhysRevA.71.032722⟩
Journal articles hal-01090005v1

Quantum mechanical and quasi-classical trajectory reaction probabilities and cross sections for the S(1D)+ H2,D2,HD insertion reactions

L. Banares , J. F. Castillo , P. Honvault , Jean-Michel Launay
Physical Chemistry Chemical Physics, 2005, 7 (4), pp.10.1039/b417368f. ⟨10.1039/b417368f⟩
Journal articles hal-01082978v1

Ultracold Li+Li2 Collisions: Bosonic and Fermionic Cases

Marko Cvitaš , Pavel Soldán , Jeremy Hutson , Pascal Honvault , Jean-Michel Launay
Physical Review Letters, 2005, 94 (3), pp.033201. ⟨10.1103/PhysRevLett.94.033201⟩
Journal articles hal-01082995v1

Sensitivity of the dynamics of Na + Na $\mathsf{_2}$ collisions on the three-body interaction at ultralow energies

Goulven Quéméner , P. Honvault , Jean-Michel Launay
The European Physical Journal D : Atomic, molecular, optical and plasma physics, 2004, 30 (2), pp.201-207. ⟨10.1140/epjd/e2004-00078-2⟩
Journal articles hal-01083023v1

Dynamics of the insertion reaction C(1D)+ H2: A comparison of crossed molecular beam experiments with quasiclassical trajectory and quantum mechanical scattering calculations

Nadia Balucani , Giovanni Capozza , Laura Cartechini , Astrid Bergeat , Rolf Bobbenkamp
Physical Chemistry Chemical Physics, 2004, 6 (21), pp.4957-4967. ⟨10.1039/b409327e⟩
Journal articles hal-01083013v1

Quantum mechanical and quasi-classical trajectory study of the C([sup 1]D)+H[sub 2] reaction dynamics

L. Bañares , F. J. Aoiz , P. Honvault , B. Bussery-Honvault , Jean-Michel Launay
The Journal of Chemical Physics, 2003, 118 (2), pp.565-568. ⟨10.1063/1.1527014⟩
Journal articles hal-01083018v1

Dynamics of the reaction S(1D)+H-2 -> SH+H reaction: a quantitative description using an accurate quantum method

P. Honvault , Jean-Michel Launay
Chemical Physics Letters, 2003, 370 (3-4), pp.371-375. ⟨10.1016/S0009-2614(03)00132-5⟩
Journal articles hal-01083021v1

Quantum Effects in the Differential Cross Sections for the Insertion Reaction N(D2) + H2

Nadia Balucani , Laura Cartechini , Giovanni Capozza , Enrico Segoloni , Piergiorgio Casavecchia
Physical Review Letters, 2002, 89 (1), pp.013201. ⟨10.1103/PhysRevLett.89.013201⟩
Journal articles hal-01083022v1

The O([sup 1]D)+H[sub 2] reaction at 56 meV collision energy: A comparison between quantum mechanical, quasiclassical trajectory, and crossed beam results

F. J. Aoiz , L. Bañares , J. F. Castillo , V. J. Herrero , B. Martínez-Haya
The Journal of Chemical Physics, 2002, 116 (24), pp.10692-10703. ⟨10.1063/1.1478693⟩
Journal articles hal-01083025v1

Quantum Dynamics of Ultracold Na+ Na2 Collisions

Pavel Soldán , Marko Cvitaš , Jeremy Hutson , Pascal Honvault , Jean-Michel Launay
Physical Review Letters, 2002, 89 (15), pp.153201. ⟨10.1103/PhysRevLett.89.153201⟩
Journal articles hal-01083008v1

Experimental and theoretical study of intramultiplet transitions in collisions of C([sup 3]P) and Si([sup 3]P) with He

Sébastien D. Le Picard , P. Honvault , B. Bussery-Honvault , André Canosa , S. Laubé
The Journal of Chemical Physics, 2002, 117 (22), pp.10109-10120. ⟨10.1063/1.1518026⟩
Journal articles hal-01083019v1

A quantum-mechanical study of the dynamics of the O([sup 1]D)+H[sub 2]→OH+H insertion reaction

Pascal Honvault , Jean-Michel Launay
The Journal of Chemical Physics, 2001, 114 (3), pp.1057-1059. ⟨10.1063/1.1338973⟩
Journal articles hal-01083027v1

Insertion and Abstraction Pathways in the Reaction O(D21)+H2→OH+H

F. Aoiz , Luis Bañares , Jesús Castillo , Mark Brouard , Wolfgang Denzer
Physical Review Letters, 2001, 86 (9), pp.1729-1732. ⟨10.1103/PhysRevLett.86.1729⟩
Journal articles hal-01083028v1

A study of the C([sup 1]D)+H[sub 2]→CH+H reaction: Global potential energy surface and quantum dynamics

B. Bussery-Honvault , P. Honvault , Jean-Michel Launay
The Journal of Chemical Physics, 2001, 115 (23), pp.10701-10708. ⟨10.1063/1.1417501⟩
Journal articles hal-01083029v1

Quantum chaos in atom–diatom reactive collisions

Pascal Honvault , Jean-Michel Launay
Chemical Physics Letters, 2000, 329 (3-4), pp.233-238. ⟨10.1016/S0009-2614(00)01024-1⟩
Journal articles hal-01083720v1

A quantum-mechanical study of the dynamics of the N(2D)+H2→NH+H reaction

Pascal Honvault , Jean-Michel Launay
The Journal of Chemical Physics, 1999, 111 (15), pp.6665 - 6667. ⟨10.1063/1.480016⟩
Journal articles hal-01700264v1

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

B. Martínez-Haya , J. Aoiz , L. Banares , P. Honvault , Jean-Michel Launay
Physical Chemistry Chemical Physics, 1999, 1 (15), pp.3415 - 3427. ⟨10.1039/a902653c⟩
Journal articles hal-01700260v1

Effect of spin–orbit corrections on the F+D2 → DF+D reaction

Pascal Honvault , Jean-Michel Launay
Chemical Physics Letters, 1999, 303 (5-6), pp.657 - 663. ⟨10.1016/S0009-2614(99)00219-5⟩
Journal articles hal-01700263v1

Quantum mechanical study of the F + D2 → DF + D reaction

Pascal Honvault , Jean-Michel Launay
Chemical Physics Letters, 1998, 287 (3-4), pp.270 - 274. ⟨10.1016/S0009-2614(98)00181-X⟩
Journal articles hal-01700256v1

Charge transfer between Si3+ and helium at thermal and low energies

P. Honvault , M.C. Bacchus-Montabonel , M. Gargaud , R. Mccarroll
Chemical Physics, 1998, 238 (3), pp.401-406. ⟨10.1016/S0301-0104(98)00331-0⟩
Journal articles hal-04159302v1

Fine structure relaxation of aluminum by atomic argon between 30 and 300 K: An experimental and theoretical study

Sébastien D. Le Picard , B. Bussery-Honvault , C. Rebrion-Rowe , P. Honvault , André Canosa
The Journal of Chemical Physics, 1998, 108 (24), pp.10319-10326. ⟨10.1063/1.475342⟩
Journal articles hal-02160569v1

Ensembles de module maximum des domaines rigides de C2

Pascal Honvault
Mathematische Zeitschrift, 1997, 225 (2), pp.295-316. ⟨10.1007/PL00004614⟩
Journal articles hal-03607022v1

Recombination of O2+ ions by electron capture from atomic hydrogen in photo-ionized nebulae

Pascal Honvault
Astronomy and Astrophysics - A&A, 1995, 302, pp.931
Journal articles hal-04159292v1

Quantum dynamics study of rate constant for a reactive collision of astrophysical interest : the D$^+$ + H$_2$ reaction

Yohann Scribano , Tomas Gonzalez Lezana , P. Honvault
Colloque National du PCMI, Oct 2014, Rennes, France
Conference papers hal-01159300v1

Oxygen depletion in dense molecular clouds: a clue to a low O_2 abundance?

U. Hincelin , Valentine Wakelam , F. Hersant , S. Guilloteau , J. -C. Loison
The Molecular Univers, 2011, Tolede, Spain. pp.199P
Conference papers hal-00606091v1

10èmes Journées Francophones des Jeunes Physico-Chimistes (JFJPC10)

M. Jorfi , P. Honvault , B. Bussery-Honvault
Dynamique réactionnelle : sensibilité aux surfaces d'énergie potentielle, Oct 2009, Ambleteuse, France
Conference papers hal-00496403v1

O + OH –> H + O2 : A key reaction for interstellar chemistry. New theoretical results and comparison with experiment

M. Jorfi , P. Honvault
Journées de la SF2A (Société Française d'Astronomie et d'Astrophysique), Jun 2009, Besançon, France
Conference papers hal-00497629v1

Quantum mechanical and quasi-classical trajectory scattering calculations for the OH + O → H + O2 reaction

M. Jorfi , P. Honvault
42nd IUPAC Congress, Aug 2009, Glasgow, United Kingdom
Conference papers hal-00497620v1

Time-dependent wave packet and quasiclassical trajectory study of the C + OH –> CO + H reaction at the state-to-state level

N. Bulut , A. Zanchet , P. Honvault , B. Bussery-Honvault , L. Banares
10th International Workshop on Quantum Reactive Scattering, Jun 2009, Dalian, China
Conference papers hal-00497633v1

Theoretical dynamical study of radical-radical reactions of atmospheric and astrophysical interest: OH+atom

P. Honvault , M. Jorfi , B. Bussery-Honvault
30th International Symposium on free radicals, Jul 2009, Savonlinna, Finland
Conference papers hal-00497626v1

Ultracold reactive scattering: problems and challenges

P. Honvault
Ultracold reactive scattering: problems and challenges, Dec 2009, Orsay, France
Conference papers hal-00498505v1

10th Journées Francophones des Jeunes Physico-Chimistes (JFJPC10)

M. Jorfi , P. Honvault , B. Bussery-Honvault
Dynamique réactionnelle : sensibilité aux surfaces d'énergie potentielle, Oct 2009, Ambleteuse, France
Conference papers hal-00497612v1

Etude théorique de réactions en phase gazeuse d'intérêt astrophysique : application à O + OH → H + O2

M. Jorfi , P. Halvick , P. Honvault
PAMO-JSM 2008, colloque de la division de Physique Atomique, Moléculaire et Optique de la S.F.P., Jul 2008, Lille, France
Conference papers hal-00498308v1

The Molecular Universe: an International Meeting on Physics and Chemistry in the ISM

A. Zanchet , P. Halvick , M. Jorfi , B. Bussery-Honvault , P. Honvault
Theoretical determination of cross sections and rate constants for the C + OH and O + OH reactions, May 2008, Arcachon, France
Conference papers hal-00498334v1

39th annual meeting of the Division of Atomic, Molecular, and Optical Physics

Goulven Erwan Quéméner , Pascal Honvault , Jean-Michel Launay
Ultracold collisions between atoms and molecules in high vibrational states:effect of the atom-atom scattering length, May 2008, State College, United States
Conference papers hal-00498332v1

Theoretical determination of cross sections and rate constants for the O + OH -> H + O2 and C + OH -> CO + H reactions

Alexandre Zanchet , P. Honvault , B. Bussery-Honvault , P. Halvick , J.C. Rayez
Molecules in Space and Laboratory, May 2007, Paris, France. pp.118
Conference papers hal-00908576v1

International Conference on Molecular Energy Transfert (COMET XX)

Pascal P. Honvault , Goulven Erwan Quéméner , Jean-Michel Launay
Ultracold collisions between Li atoms and Li2 diatoms in high vibrational states, Jun 2007, Arcachon, France
Conference papers hal-00498442v1

38th annual meeting of the Division of Atomic, Molecular, and Optical Physics

Goulven Erwan Quéméner , Pascal Honvault , Jean-Michel Launay
Ultracold collisions between atoms and molecules in high vibrational states:effect of the atom-atom scattering length, Jun 2007, Calgary, Canada
Conference papers hal-00498432v1

Quantum dynamics study of the D$^+$ + H$_2$ reaction at low temperature

Yohann Scribano , Tomas Gonzalez-Lezana , Pascal Honvault
Quantum Reactive Scattering (XII th). Laurent Bonnet, Jun 2013, Bordeaux, France
Conference poster hal-01160368v1

XXI Dynamics of Molecular Collisions Meeting

Pascal P. Honvault , Goulven Erwan Quéméner , Jean-Michel Launay
Ultracold collisions between Li atoms and Li2 diatoms in high vibrational states, Jul 2007, Santa Fe, United States
Conference poster hal-00498428v1