P. Honvault

发表

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

T. González-Lezana, P. Honvault, 2017 .

The D(+) + H2 reaction: differential and integral cross sections at low energy and rate constants at low temperature.

Y. Scribano, T. González-Lezana, P. Honvault, 2014, The journal of physical chemistry. A.

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

Y. Scribano, T. González-Lezana, P. Honvault, 2013, The Journal of chemical physics.

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

L. Pagani, T. González-Lezana, P. Honvault, 2011, Physical chemistry chemical physics : PCCP.

Quantum mechanical and quasi-classical trajectory study of the C(1D)+H2 reaction dynamics

B. Bussery-Honvault, L. Bañares, F. J. Aoiz, 2003 .

A detailed quantum mechanical and quasiclassical trajectory study on the dynamics of the H+ + H2 --> H2 + H+ exchange reaction.

O. Roncero, L. Bañares, F. J. Aoiz, 2006, The Journal of chemical physics.

On the dynamics of the H+ +D2(v=0,j=0)-->HD+D + reaction: a comparison between theory and experiment.

O. Roncero, L. Bañares, N. Bulut, 2008, Journal of Chemical Physics.

Effects of the rotational excitation of D2 and of the potential energy surface on the H+ + D2 --> HD + D+ reaction.

F. J. Aoiz, P. G. Jambrina, T. González-Lezana, 2009, The Journal of chemical physics.

Effect of internal excitations of reagent diatom on initial state-selected dynamics of C + OH reaction on its second excited (14A″) electronic state*

B. Bussery-Honvault, S. Mahapatra, P. Honvault, 2017 .

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

B. Bussery-Honvault, S. Mahapatra, P. Honvault, 2018, The European Physical Journal D.

Study of the C(3P) + OH(X2Pi) --> CO(X1Sigma(g)+) + H(2S) reaction: a fully global ab initio potential energy surface of the X2A' state.

B. Bussery-Honvault, P. Honvault, A. Zanchet, 2006, The journal of physical chemistry. A.

Rate constant for OH(Π2)+O(P3)→H(S2)+O2(Σg−3) reaction on an improved ab initio potential energy surface and implications for the interstellar oxygen problem

Hua Guo, D. Xie, P. Honvault, 2007 .

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

B. Bussery-Honvault, P. Honvault, J. Rayez, 2007, The Journal of chemical physics.

Quasiclassical trajectory scattering calculations for the OH + O → H + O2 reaction: Cross sections and rate constants

Hua Guo, P. Honvault, M. Jorfi, 2008 .

Differential cross sections and product energy distributions for the C(3P)+OH(X 2Pi)-->CO(X 1Sigma+)+H(2S) reaction using a quasiclassical trajectory method.

B. Bussery-Honvault, P. Honvault, A. Zanchet, 2008, The Journal of chemical physics.

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.

Hua Guo, D. Xie, P. Honvault, 2008, The Journal of chemical physics.

Quantum dynamics of C(3P) + OH(X2Π) → H(2S) + CO(X1Σ+) reaction

Hua Guo, P. Honvault, Shi Ying Lin, 2008 .

Study of the C(3P) + OH(X2Pi) --> CO(a3Pi) + H(2S) reaction: fully global ab initio potential energy surfaces of the 12A'' and 14A'' excited states and non adiabatic couplings.

B. Bussery-Honvault, P. Honvault, M. Jorfi, 2009, Physical chemistry chemical physics : PCCP.

Quasi-classical determination of integral cross-sections and rate constants for the N+OH→NO+H reaction

P. Honvault, M. Jorfi, P. Halvick, 2009 .

Time-dependent wave packet and quasiclassical trajectory study of the C(3P) + OH(X 2Pi) --> CO(X 1Sigma+) + H(2S) reaction at the state-to-state level.

B. Bussery-Honvault, L. Bañares, N. Bulut, 2009, The Journal of chemical physics.

Theoretical sensitivity of the C((3)P) + OH(X(2)Pi) --> CO(X(1)Sigma(+)) + H((2)S) rate constant: the role of the long-range potential.

P. Larrégaray, B. Bussery-Honvault, P. Honvault, 2010, The journal of physical chemistry. A.

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

P. Honvault, M. Jorfi, 2010, The journal of physical chemistry. A.

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

O. Roncero, N. Bulut, P. Honvault, 2011, The Journal of chemical physics.

State-to-state quantum dynamics calculations of the C + OH reaction on the second excited potential energy surface.

P. Honvault, M. Jorfi, 2011, The journal of physical chemistry. A.

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

P. Honvault, M. Jorfi, 2011, Physical chemistry chemical physics : PCCP.

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

A. Zanchet, O. Roncero, M. Hankel, 2012, The Journal of chemical physics.

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

B. Bussery-Honvault, S. Mahapatra, P. Honvault, 2013, The Journal of chemical physics.

Quasiclassical trajectory and statistical quantum calculations for the C + OH → CO + H reaction on the first excited 1(2)A″ potential energy surface.

B. Bussery-Honvault, T. González-Lezana, P. Honvault, 2013, The journal of physical chemistry. A.

A study of the C(1D)+H2→CH+H reaction: Global potential energy surface and quantum dynamics

B. Bussery-Honvault, P. Honvault, J. Launay, 2001 .

Global 11A″ potential energy surface of CH2 and quantum dynamics of a sideways insertion mechanism for the C(1D)+ H2→ CH(2Π)+ H reaction

B. Bussery-Honvault, P. Honvault, J. Launay, 2005 .

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

P. Gamallo, S. Akpinar, B. Bussery-Honvault, 2010, The Journal of chemical physics.

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

B. Bussery-Honvault, N. Balucani, L. Bañares, 2010 .

Dynamics of the S(1D) + H2 insertion reaction: A combined quantum mechanical and quasiclassical trajectory study

L. Bañares, F. J. Aoiz, P. Honvault, 2004 .

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

L. Bañares, P. Honvault, J. Launay, 2005, Physical chemistry chemical physics : PCCP.

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

P. Honvault, M. Lepers, G. Guillon, 2020, Monthly Notices of the Royal Astronomical Society.

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

P. Honvault, M. Lepers, G. Guillon, 2019, Monthly Notices of the Royal Astronomical Society.

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

S. Mahapatra, P. Honvault, T. Rajagopala Rao, 2014, The Journal of chemical physics.

State-to-state quantum mechanical calculations of rate coefficients for the D+ + H2 → HD + H+ reaction at low temperature.

Y. Scribano, P. Honvault, 2013, The journal of physical chemistry. A.

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

P. Honvault, J. Launay, 1999 .

Ortho-Para H2 Conversion by Proton Exchange at Low Temperature: An Accurate Quantum Mechanical Study

L. Pagani, T. González-Lezana, P. Honvault, 2011 .

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

L. Pagani, T. González-Lezana, P. Honvault, 2012 .

Correction to “State-to-State Quantum Mechanical Calculations of Rate Coefficients for the D+ + H2 → HD + H+ Reaction at Low Temperature”

Y. Scribano, P. Honvault, 2013 .

Quantum effects in the differential cross Ssctions for the insertion reaction N(2D) + H2.

N. Balucani, L. Bañares, P. Casavecchia, 2002, Physical review letters.

Experimental and theoretical differential cross sections for the N(2D) + H2 reaction.

N. Balucani, L. Bañares, F. J. Aoiz, 2006, The journal of physical chemistry. A.

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

B. Bussery-Honvault, N. Balucani, L. Bañares, 2004 .

Quantum mechanical and quasiclassical trajectory scattering calculations for the C(1D) + H2 reaction on the second excited 1 1A" potential energy surface.

B. Bussery-Honvault, L. Bañares, F. J. Aoiz, 2006, The Journal of chemical physics.

Born-Oppenheimer quantum dynamics of the C((1)D)+H(2) reaction on the CH(2) ã (1)A(1) and b (1)B(1) surfaces.

B. Bussery-Honvault, P. Honvault, P. Defazio, 2009, The Journal of chemical physics.

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

B. Bussery-Honvault, P. Honvault, P. Defazio, 2011, The Journal of chemical physics.

Fully Coriolis-coupled quantum studies of the H + O2 (upsilon i = 0-2, j i = 0,1) --> OH + O reaction on an accurate potential energy surface: integral cross sections and rate constants.

Zhigang Sun, Dong H. Zhang, Hua Guo, 2008, The journal of physical chemistry. A.

O+OH-->O(2)+H: A key reaction for interstellar chemistry. New theoretical results and comparison with experiment.

D. Xie, P. Honvault, J. Kłos, 2009, The Journal of chemical physics.

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

P. Larrégaray, T. González-Lezana, P. Honvault, 2009, The Journal of chemical physics.

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

P. Honvault, M. Jorfi, 2010, The Journal of chemical physics.

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

P. Honvault, M. Jorfi, 2009, The journal of physical chemistry. A.

Time-dependent quantum wave packet dynamics of S + OH reaction on its electronic ground state.

B. Bussery-Honvault, S. Mahapatra, P. Honvault, 2014, The journal of physical chemistry. A.

A KINETIC DATABASE FOR ASTROCHEMISTRY (KIDA)

J. Troe, E. Herbst, A. Dalgarno, 2012, 1201.5887.

Recombination of O^2+^ ions by electron capture from atomic hydrogen in photo-ionized nebulae.

M. Gargaud, M. Bacchus-Montabonel, P. Honvault, 1995 .

Ortho–para-H2 conversion processes in astrophysical media

P. Honvault, F. Lique, F. Lique, 2014, 1402.5292.

Quantum Dynamics of Insertion Reactions

P. Honvault, J. Launay, 2004 .

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

P. Honvault, J. Launay, G. Quéméner, 2004 .

Ortho-H2 and the age of prestellar cores

L. Pagani, P. Lesaffre, T. González-Lezana, 2013 .

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

M. Gargaud, M. Bacchus-Montabonel, P. Honvault, 1998 .

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

P. Honvault, M. Jorfi, P. Halvick, 2009, The Journal of chemical physics.

Interactions and dynamics in Li+Li2 ultracold collisions.

Marko T. Cvitas, P. Soldán, P. Honvault, 2007, The Journal of chemical physics.

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

P. Soldán, D. Potter, P. Honvault, 2004, cond-mat/0411158.

Ab initio potential energy surfaces for the study of rotationally inelastic CH(X2Π)+H(2S) collisions

N. Jaidane, P. Honvault, Z. B. Lakhdar, 2008 .

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

B. Kerkeni, P. Honvault, P. Halvick, 2015, The Journal of chemical physics.

H2, H3+ and the age of molecular clouds and prestellar cores

È. Roueff, L. Pagani, P. Lesaffre, 2012, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

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

P. Soldán, D. Potter, P. Honvault, 2004, cond-mat/0411158.

Ultracold collisions involving heteronuclear alkali metal dimers.

Marko T. Cvitas, P. Soldán, P. Honvault, 2005, Physical review letters.

Quantum dynamics of ultracold Na+ Na2 collisions.

Marko T. Cvitas, P. Soldán, P. Honvault, 2002, Physical review letters.

Ortho-para-H2 conversion by hydrogen exchange: comparison of theory and experiment.

P. Honvault, F. Lique, A. Faure, 2012, The Journal of chemical physics.

Ultracold collisions between Li atoms and Li 2 diatoms in high vibrational states

P. Honvault, J. Launay, G. Quéméner, 2007 .

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

B. Bussery-Honvault, N. Jaidane, P. Honvault, 2014, The Journal of chemical physics.

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

B. Bussery-Honvault, L. Bañares, N. Bulut, 2011 .

Quantum dynamics of ultracold Na+ Na2 collisions.

Marko T. Cvitas, P. Soldán, P. Honvault, 2002, Physical review letters.

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)

B. Bussery-Honvault, P. Honvault, T. Stoecklin, 2012 .

Ultracold Li + Li2 collisions: bosonic and fermionic cases.

Marko T. Cvitas, P. Soldán, P. Honvault, 2004, Physical review letters.

New Theoretical Results Concerning the Interstellar Abundance of Molecular Oxygen

T. Millar, E. Herbst, Hua Guo, 2008 .

Single and Double Electron Capture in Boron Collision Systems

M. Bacchus-Montabonel, P. Honvault, 2000 .

Ab initio molecular treatment of electron capture processes in the B2+ + H collision

M. Bacchus-Montabonel, P. Honvault, M. Druetta, 1997 .

Electron capture by state-selected O2+ ions from atomic hydrogen

M. Bacchus-Montabonel, P. Honvault, R. McCarroll, 1994 .

THE 2014 KIDA NETWORK FOR INTERSTELLAR CHEMISTRY

G. Nyman, J. Tennyson, S. Schlemmer, 2015, 1503.01594.

The H+ + H2 reaction

T. González-Lezana, P. Honvault, 2014 .

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

J. Tennyson, O. Roncero, O. Motapon, 2017, Monthly notices of the Royal Astronomical Society.

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

B. Bussery-Honvault, B. Rowe, A. Canosa, 1998 .

Quantum dynamics of (16)O + (36)O2 and (18)O + (32)O2 exchange reactions.

S. Mahapatra, P. Honvault, G. Guillon, 2015, The Journal of chemical physics.

Huge Quantum Symmetry Effect in the O + O2 Exchange Reaction.

S. Mahapatra, P. Honvault, T. R. Rao, 2015, The journal of physical chemistry letters.

Dependence on collision energy of the stereodynamical properties of the 18O + 32O2 exchange reaction

P. Honvault, G. Guillon, Erwan Privat, 2018 .

Quantum stereodynamics of the 18O+16O16O→16O18O+16O exchange reaction at low collision energy

P. Honvault, G. Guillon, Erwan Privat, 2017 .

The O(1D)+H2 reaction at 56 meV collision energy: A comparison between quantum mechanical, quasiclassical trajectory, and crossed beam results

Xueming Yang, Luis Bañares, Pascal Honvault, 2002 .

Quantum dynamics of the H + O2 --> O + OH reaction on an accurate ab initio potential energy surface.

Hua Guo, D. Xie, P. Honvault, 2006, The journal of physical chemistry. B.

Differential and integral cross sections for the H + O2 --> OH + O combustion reaction.

Hua Guo, Daiqian Xie, Pascal Honvault, 2007, The journal of physical chemistry. A.

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

P. Honvault, J. Launay, G. Quéméner, 2008 .

A quantum-mechanical study of the dynamics of the O(1D)+H2→OH+H insertion reaction

Pascal Honvault, P. Honvault, J. Launay, 2001 .

Quantum mechanical study of the 16O + 18O18O → 16O18O + 18O exchange reaction: Integral cross sections and rate constants.

V. Tyuterev, P. Honvault, G. Guillon, 2018, The Journal of chemical physics.

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

P. Honvault, G. Guillon, Srikanth Korutla, 2021 .

Quantum Dynamics of the (18)O + (36)O2 Collision Process.

S. Mahapatra, P. Honvault, T. R. Rao, 2015, The journal of physical chemistry. A.

Dynamics of the S(1D)+H2→SH+H reaction: a quantitative description using an accurate quantum method

Pascal Honvault, P. Honvault, J. Launay, 2003 .

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

P. Honvault, J. Launay, 1999 .

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, L. Bañares, F. J. Aoiz, 1999 .

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

P. Honvault, J. Launay, 1998 .

Quantum chaos in atom–diatom reactive collisions

P. Honvault, J. Launay, 2000 .

Extension of the Launay quantum reactive scattering code and direct computation of time delays.

P. Honvault, G. Guillon, Erwan Privat, 2019, Journal of chemical theory and computation.

Insertion and abstraction pathways in the reaction O(1D2) + H2-->OH+H.

P. Knowles, C. Vallance, M. Brouard, 2001, Physical review letters.

Quantum dynamics of O17 in collision with ortho- and para- O17O17

P. Honvault, M. Lepers, G. Guillon, 2020 .

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

P. Honvault, G. Guillon, 2017 .

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

Hua Guo, Changjian Xie, D. Xie, 2011, Science.

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

P. Honvault, M. Jorfi, 2009, The journal of physical chemistry. A.

Maximum Modulus Sets and Segre Convexity

P. Honvault, Gérard Cœuré, 2001 .

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

V. Wakelam, J. Troe, J. Loison, 2011, 1104.1530.

High-Energy Quantum Dynamics of the 15N + o-14N14N Rovibrational Activation and Isotope Exchange Processes.

P. Honvault, T. R. Rao, M. Lepers, 2023, The journal of physical chemistry. A.

Ab initio potential energy surfaces for the study of rotationally inelastic CH(X2Π)+H(2S) collisions

N. Jaidane, P. Honvault, Z. B. Lakhdar, 2008 .

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

B. Bussery-Honvault, B. Rowe, A. Canosa, 2002 .

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

O. Roncero, M. Hankel, T. González-Lezana, 2012, The Journal of chemical physics.

Quasiclassical trajectory and statistical quantum calculations for the C + OH → CO + H reaction on the first excited 1(2)A″ potential energy surface.

B. Bussery-Honvault, T. González-Lezana, P. Honvault, 2013, The journal of physical chemistry. A.

Global 1 1A" potential energy surface of CH2 and quantum dynamics of a sideways insertion mechanism for the C(1D) + H2 --> CH(2pi) + H reaction.

B. Bussery-Honvault, P. Honvault, J. Launay, 2005, Physical chemistry chemical physics : PCCP.