List of works - Pascal Honvault

A KInetic Database for Astrochemistry (KIDA)

scholarly article

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

article

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

article

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

article

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

article

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

article

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

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

scientific article published on 01 January 2008

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

scientific article published in September 2011

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

article

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)

Born–Oppenheimer quantum dynamics of the C(D1)+H2 reaction on the CH2 ã A11 and b̃ B11 surfaces

article

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

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

article

Cross sections and rate constants for the C(P3)+OH(XΠ2)→CO(XΣ+1)+H(S2) reaction using a quasiclassical trajectory method

Differential Cross Sections and Product Rovibrational Distributions for (16)O + (32)O2 and (18)O + (36)O2 Collisions.

scientific article published on 10 November 2015

Differential and Integral Cross Sections for the H + O2→ OH + O Combustion Reaction

scientific article published on 05 June 2007

Differential cross sections and product energy distributions for the C(P3)+OH(XΠ2)→CO(XΣ+1)+H(S2) reaction using a quasiclassical trajectory method

Dynamics of the C(1D)+H2reaction: 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

article

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

article

Dynamics of the S(1D) + H2 Insertion Reaction: A Combined Quantum Mechanical and Quasiclassical Trajectory Study

article

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

article

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

article

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

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

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

scientific article published on 01 July 2009

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

Erratum: Otho-ParaH2Conversion by Proton Exchange at Low Temperature: An Accurate Quantum Mechanical Study [Phys. Rev. Lett.107, 023201 (2011)]

scientific article published in Physical Review Letters

Experimental and Theoretical Differential Cross Sections for the N(2D) + H2 Reaction

scientific article published on 01 January 2006

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

article

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

scientific article published on 13 September 2019

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

scholarly article by S. D. Le Picard et al published 22 June 1998 in Journal of Chemical Physics

First-Principles Computed Rate Constant for the O + O2 Isotopic Exchange Reaction Now Matches Experiment.

scientific article published on 29 March 2018

Fully Coriolis-Coupled Quantum Studies of the H + O2(υi= 0−2,ji= 0,1) → OH + O Reaction on an Accurate Potential Energy Surface: Integral Cross Sections and Rate Constants

scientific article published on 09 January 2008

Global 1 1A″ potential energy surface of CH2and quantum dynamics of a sideways insertion mechanism for the C(1D) + H2→ CH(2Π) + H reaction

article

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

scientific article published in November 2012

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

scientific article published on 2 February 2015

Influence of ro-vibrational and isotope effects on the dynamics of the C(3P)+ OD(X2Π) → CO(X1Σ+) + D(2S) reaction

article

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

scientific article published in Physical Review Letters

Interactions and dynamics in Li+Li2 ultracold collisions

article

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

scientific article published on September 2015

New Theoretical Results Concerning the Interstellar Abundance of Molecular Oxygen ⬇️

scientific article published in the Astrophysical Journal

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

article

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

scientific article published on 01 December 2009

On the dynamics of the H++D2(v=0,j=0)→HD+D+ reaction: A comparison between theory and experiment

article

On the statistical behavior of the O+OH→H+O[sub 2] reaction: A comparison between quasiclassical trajectory, quantum scattering, and statistical calculations

Ortho-H2and the age of prestellar cores

scientific article published in Astronomy and Astrophysics

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

Ortho–para-H2conversion processes in astrophysical media

Ortho−ParaH2Conversion by Proton Exchange at Low Temperature: An Accurate Quantum Mechanical Study

scientific article published in Physical Review Letters

Oxygen depletion in dense molecular clouds: a clue to a low O2abundance?

scientific article published in Astronomy and Astrophysics

Quantum Dynamics at the State-to-State Level of the C + OH Reaction on the First Excited Potential Energy Surface†

article

Quantum Dynamics of UltracoldNa+ Na2Collisions

scientific article published in Physical Review Letters

Quantum Dynamics of the (17)O + (32)O2 Collision Process

scientific article

Quantum Dynamics of the 18O + 36O2 Collision Process

article

Quantum Dynamics of the H + O2→ O + OH Reaction on an Accurate ab Initio Potential Energy Surface

article

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

scientific article published in Physical Review Letters

Quantum chaos in atom–diatom reactive collisions

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

scientific article published in June 2014

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

scientific article published in May 2015

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

article

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

article

Quantum dynamics of the C(D1)+HD and C(D1)+n−D2 reactions on the ã A1′ and b̃ A1″ surfaces

article

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

article

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

scientific article published on 01 February 2005

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

article

Quantum mechanical and quasiclassical trajectory scattering calculations for the C(D1)+H2 reaction on the second excited 1A″1 potential energy surface

scientific article published on 01 April 2006

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

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

scientific article published on 7 December 2018

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

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

article

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

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

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

article

Quasiclassical Trajectory and Statistical Quantum Calculations for the C + OH → CO + H Reaction on the First Excited 12A″ Potential Energy Surface

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

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

article

Rate constant for OH(2 Pi)+O(3P)-->H(2S)+O2(3 Sigma g-) reaction on an improved ab initio potential energy surface and implications for the interstellar oxygen problem.

scientific article published in July 2007

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

scientific article published in Science

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

scholarly article in European Physical Journal D, vol. 49 no. 1, July 2008

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

scientific article

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

article

State-to-State Quantum Dynamical Study of the N + OH → NO + H Reaction

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

article

State-to-State Quantum Reactive Scattering Calculations and Rate Constant for Nitrogen Atoms in Collision with NO Radicals at Low Temperatures

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

scientific article

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

scientific article published on 18 March 2013

Study of the C(3P) + OH(X2Π) → CO(X1Σg+) + H(2S) Reaction: A Fully Global ab Initio Potential Energy Surface of the X2A‘ State

Study of the C(3P) + OH(X2Π) → CO(a3Π) + H(2S) reaction: fully global ab initio potential energy surfaces of the 12A″ and 14A″ excited states and non adiabatic couplings

article

The 2014 KIDA network for interstellar chemistry ⬇️

scholarly article

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

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

scientific article published on 01 July 2010

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

article

Time-dependent wave packet and quasiclassical trajectory study of the C(P3)+OH(X Π2)→CO(X Σ1+)+H(S2) reaction at the state-to-state level

scientific article published on 01 May 2009

Ultracold Collisions Involving Heteronuclear Alkali Metal Dimers

scientific article published in Physical Review Letters

Ultracold collisions between Li atoms andLi2diatoms in high vibrational states

article

Ultracold quantum dynamics: Spin-polarizedK+K2collisions with three identical bosons or fermions

article

UltracoldLi+Li2Collisions: Bosonic and Fermionic Cases

scientific article published in Physical Review Letters

List of works by Pascal Honvault

A KInetic Database for Astrochemistry (KIDA)

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

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

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

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

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

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

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

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

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

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)

Born–Oppenheimer quantum dynamics of the C(D1)+H2 reaction on the CH2 ã A11 and b̃ B11 surfaces

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

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

Cross sections and rate constants for the C(P3)+OH(XΠ2)→CO(XΣ+1)+H(S2) reaction using a quasiclassical trajectory method

Differential Cross Sections and Product Rovibrational Distributions for (16)O + (32)O2 and (18)O + (36)O2 Collisions.

Differential and Integral Cross Sections for the H + O2→ OH + O Combustion Reaction

Differential cross sections and product energy distributions for the C(P3)+OH(XΠ2)→CO(XΣ+1)+H(S2) reaction using a quasiclassical trajectory method

Dynamics of the C(1D)+H2reaction: 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

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

Dynamics of the S(1D) + H2 Insertion Reaction: A Combined Quantum Mechanical and Quasiclassical Trajectory Study

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

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

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

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

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

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

Erratum: Otho-ParaH2Conversion by Proton Exchange at Low Temperature: An Accurate Quantum Mechanical Study [Phys. Rev. Lett.107, 023201 (2011)]

Experimental and Theoretical Differential Cross Sections for the N(2D) + H2 Reaction

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

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

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

First-Principles Computed Rate Constant for the O + O2 Isotopic Exchange Reaction Now Matches Experiment.

Fully Coriolis-Coupled Quantum Studies of the H + O2(υi= 0−2,ji= 0,1) → OH + O Reaction on an Accurate Potential Energy Surface: Integral Cross Sections and Rate Constants

Global 1 1A″ potential energy surface of CH2and quantum dynamics of a sideways insertion mechanism for the C(1D) + H2→ CH(2Π) + H reaction

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

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

Influence of ro-vibrational and isotope effects on the dynamics of the C(3P)+ OD(X2Π) → CO(X1Σ+) + D(2S) reaction

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

Interactions and dynamics in Li+Li2 ultracold collisions

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

New Theoretical Results Concerning the Interstellar Abundance of Molecular Oxygen ⬇️

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

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

On the dynamics of the H++D2(v=0,j=0)→HD+D+ reaction: A comparison between theory and experiment

On the statistical behavior of the O+OH→H+O[sub 2] reaction: A comparison between quasiclassical trajectory, quantum scattering, and statistical calculations

Ortho-H2and the age of prestellar cores

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

Ortho–para-H2conversion processes in astrophysical media

Ortho−ParaH2Conversion by Proton Exchange at Low Temperature: An Accurate Quantum Mechanical Study

Oxygen depletion in dense molecular clouds: a clue to a low O2abundance?

Quantum Dynamics at the State-to-State Level of the C + OH Reaction on the First Excited Potential Energy Surface†

Quantum Dynamics of UltracoldNa+ Na2Collisions

Quantum Dynamics of the (17)O + (32)O2 Collision Process

Quantum Dynamics of the 18O + 36O2 Collision Process

Quantum Dynamics of the H + O2→ O + OH Reaction on an Accurate ab Initio Potential Energy Surface

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

Quantum chaos in atom–diatom reactive collisions

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

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

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

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

Quantum dynamics of the C(D1)+HD and C(D1)+n−D2 reactions on the ã A1′ and b̃ A1″ surfaces

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

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

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

Quantum mechanical and quasiclassical trajectory scattering calculations for the C(D1)+H2 reaction on the second excited 1A″1 potential energy surface

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

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

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

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

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

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

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

Quasiclassical Trajectory and Statistical Quantum Calculations for the C + OH → CO + H Reaction on the First Excited 12A″ Potential Energy Surface

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

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

Rate constant for OH(2 Pi)+O(3P)-->H(2S)+O2(3 Sigma g-) reaction on an improved ab initio potential energy surface and implications for the interstellar oxygen problem.

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