P. Halvick

发表

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.

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

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

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.

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

P. Larrégaray, L. Bonnet, J. Rayez, 2014, Theoretical Chemistry Accounts.

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.

Prediction of the existence of the N2H- molecular anion.

M. Hochlaf, P. Halvick, T. Stoecklin, 2012, The Journal of chemical physics.

On the gas-phase formation of the HCO radical: accurate quantum study of the H+CO radiative association

G. Nyman, P. Halvick, T. Stoecklin, 2018 .

Visible emission from the vibrationally hot C2H radical following vacuum-ultraviolet photolysis of acetylene: Experiment and theory

N. Shafizadeh, P. Halvick, C. Fellows, 2002 .

Single-center approach for photodetachment and radiative electron attachment: Comparison with other theoretical approaches and with experimental photodetachment data

J. Loison, P. Halvick, T. Stoecklin, 2019, Physical Review A.

Converged quantum-mechanical calculations of electronic-to-vibrational, rotational energy transfer probabilities in a system with a conical intersection

R. Friedman, D. Truhlar, D. Schwenke, 1993 .

Rovibrational energy transfer in the He–C3 collision: rigid bender treatment of the bending–rotation interaction and rate coefficients

P. Halvick, T. Stoecklin, O. Denis-Alpizar, 2015 .

On the use of explicitly correlated treatment methods for the generation of accurate polyatomic -He/H2 interaction potential energy surfaces: The case of C3-He complex and generalization.

M. Hochlaf, M. Senent, P. Halvick, 2014, The Journal of chemical physics.

Rovibrational energy transfer in the He-C3 collision: potential energy surface and bound states.

P. Halvick, T. Stoecklin, O. Denis-Alpizar, 2014, The Journal of chemical physics.

Accurate global potential energy surface for the H + OH+ collision.

M. Hochlaf, N. Jaidane, P. Halvick, 2014, The Journal of chemical physics.

The interaction of He with vibrating HCN: potential energy surface, bound states, and rotationally inelastic cross sections.

M. Dubernet, P. Halvick, T. Stoecklin, 2013, The Journal of chemical physics.

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.

Erratum: A new diabatic representation of the coupled potential energy surfaces for Na(3p2P)+H2→Na(3s2S)+H2 or NaH+H [J. Chem. Phys. 96, 2895 (1992)]

D. Truhlar, P. Halvick, 1994 .

A new diabatic representation of the coupled potential energy surfaces for Na(3p 2P)+H2→Na(3s 2S)+H2 or NaH+H

D. Truhlar, P. Halvick, 1992 .

Potential energy surface of the CO2-N2 van der Waals complex.

M. Hochlaf, N. Jaidane, P. Halvick, 2015, The Journal of chemical physics.

Theoretical study of the reaction C(3P) + SH(X2π): Part 1. Semi-quantitative determination of some parts of the potential energy surfaces

J. Rayez, P. Halvick, T. Stoecklin, 1988 .

Predissociation spectroscopy of cold CN−H2 and CN−D2

S. Schlemmer, R. Wester, R. Wild, 2022, Molecular Physics.

Explicitly correlated treatment of the Ar-NO+ cation.

M. Hochlaf, P. Halvick, T. Stoecklin, 2011, The Journal of chemical physics.

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.

Isotopic effects in the collision of HCN with He: substitution of HCN by DCN

P. Halvick, T. Stoecklin, O. Denis-Alpizar, 2015 .

Converged three‐dimensional quantum mechanical reaction probabilities for the F+H2 reaction on a potential energy surface with realistic entrance and exit channels and comparisons to results for three other surfaces

Gillian C. Lynch, D. Kouri, D. Truhlar, 1991 .

Theoretical spectroscopic characterization of the ArBeO complex.

M. Hochlaf, N. Jaidane, P. Halvick, 2014, The Journal of chemical physics.

Rotational Excitation of the OH(+) Radical by Collision with H at Low Temperature.

M. Hochlaf, N. Jaidane, P. Halvick, 2015, The journal of physical chemistry. A.

Rigid-Bender Close-Coupling Treatment of the Inelastic Collisions of H2O with Para-H2.

Y. Scribano, P. Halvick, T. Stoecklin, 2019, The journal of physical chemistry. A.

Rotational transitions of C3N− induced by collision with H2

P. Halvick, T. Stoecklin, M. Lara-Moreno, 2019, Monthly Notices of the Royal Astronomical Society.

Potential energy surface and rovibrational bound states of the H2-C3N- van der Waals complex.

P. Halvick, T. Stoecklin, M. Lara-Moreno, 2019, Physical chemistry chemical physics : PCCP.

Low temperature quantum rate coefficient of the H + CH+ reaction.

P. Halvick, T. Stoecklin, 2005, Physical chemistry chemical physics : PCCP.

A multiconfigurational approach of the symmetry breaking problem in the cyclic C3H radical

P. Halvick, 2007 .

Ro-vibrational relaxation of HCN in collisions with He: rigid bender treatment of the bending-rotation interaction.

M. Dubernet, P. Halvick, T. Stoecklin, 2013, The Journal of chemical physics.

Review of OCS gas-phase reactions in dark cloud chemical models

V. Wakelam, J. Loison, K. Hickson, 2012, 1201.4256.

Collisional relaxation of MnH (X7Σ+) in a magnetic field: effect of the nuclear spin of Mn.

P. Halvick, T. Stoecklin, 2011, Physical chemistry chemical physics : PCCP.

Zeeman relaxation of MnH (X{sup 7}{Sigma}{sup +}) in collisions with {sup 3}He: Mechanism and comparison with experiment

P. Halvick, T. Stoecklin, F. Turpin, 2011, 1101.2159.

Material for “ Quantum tunneling dynamical behaviour on weakly bond complexes : the case of CO 2 – N 2 dimer ”

P. Halvick, T. Stoecklin, Majdi, 2018 .

Analytical global potential energy surfaces of the two lowest 2A′states of NO2

J. Rayez, P. Halvick, T. Stoecklin, 2001 .

Cross sections and low temperature rate coefficients for the H + CH+ reaction: a quasiclassical trajectory study.

P. Larrégaray, L. Bonnet, P. Halvick, 2007, Physical chemistry chemical physics : PCCP.

Converged quantum dynamics calculations for the F+H2 reaction on the well‐studied M5 potential‐energy surface

D. Kouri, D. Truhlar, C. Yu, 1989 .

Ro-vibrational relaxation of HCN in collisions with He: rigid bender treatment of the bending-rotation interaction.

M. Dubernet, P. Halvick, T. Stoecklin, 2013, The Journal of chemical physics.

Interaction of rigid C3N- with He: Potential energy surface, bound states, and rotational spectrum.

P. Halvick, T. Stoecklin, M. Lara-Moreno, 2017, The Journal of chemical physics.

Rotational relaxation of CS by collision with ortho- and para-H2 molecules.

M. Dubernet, P. Halvick, T. Stoecklin, 2008, The Journal of chemical physics.

Resolved fine and hyperfine state-to-state rate coefficients for the rotational transitions of C3N induced by collision with He

P. Halvick, T. Stoecklin, M. Lara-Moreno, 2021, Monthly Notices of the Royal Astronomical Society.

Ab initio quasidiabatic states for the reaction N + CH → NC + H

P. Halvick, R. Thürwächter, 1997 .

BASECOL2012: A collisional database repository and web service within the Virtual Atomic and Molecular Data Centre (VAMDC)

Jonathan Tennyson, Cecilia Ceccarelli, George C. McBane, 2013 .

High-harmonic transient grating spectroscopy of NO2 electronic relaxation.

P. Corkum, D. Villeneuve, D. Descamps, 2012, The Journal of chemical physics.

A theoretical study of the bond dissociations of small molecules using MNDO/CI

J. Rayez, P. Halvick, J. Dannenberg, 1985 .

Radiative Electron Attachment and Photodetachment Rate Constants for Linear Carbon Chains

P. Halvick, T. Stoecklin, M. Lara-Moreno, 2019, ACS Earth and Space Chemistry.

Trajectory surface hopping study of the C + CH reaction

L. Bonnet, J. Rayez, P. Halvick, 2002 .

Global analytical representations of the three lowest potential energy surfaces of C2H, and rate constant calculations for the C(3P)+CH(2Π) reaction

P. Halvick, J. Rayez, A. Voronin, 2000 .

Ab initio study of the potential energy surfaces for the reaction N(4Su +CH(X 2IIr) → CN(X 2Σ+, A 2IIi + H(2Sg)

B. Lévy, P. Millié, J. Rayez, 1994 .

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.

A theoretical study of the dynamics of the reaction C(3P)+NO(X2Π)→CN(X2Σ+)+O(3P)

J. Rayez, P. Halvick, 1989 .

Statistical behavior of elementary collinear exchange reactions A+BC→AB+C

L. Bonnet, J. Rayez, P. Halvick, 1993 .

On the gas-phase formation of the HCO- anion: accurate quantum study of the H- + CO radiative association and HCO radiative electron attachment.

M. Hochlaf, P. Halvick, T. Stoecklin, 2018, Faraday discussions.

Three-atom indirect exchange reactions. II. Dynamical behaviours explained by a simple model

J. Rayez, P. Halvick, M. Rayez, 1987 .

Three-atom indirect exchange reactions. I. 1d QCT study of the topological factors influencing the energetic distribution on the products

J. Rayez, P. Halvick, M. Rayez, 1986 .

Theoretical approach to the reaction C(3P)+NO(X 2Π)

J. Rayez, P. Halvick, E. Evleth, 1984 .

H2(v = 0,1) + C+(2P) → H+CH+ STATE-TO-STATE RATE CONSTANTS FOR CHEMICAL PUMPING MODELS IN ASTROPHYSICAL MEDIA

J. Cernicharo, O. Roncero, N. Bulut, 2013 .

Potential energy surface and rovibrational energy levels of the H2-CS van der Waals complex.

M. Dubernet, P. Halvick, T. Stoecklin, 2012, The Journal of chemical physics.

Predissociation spectra of the 35 Cl - (H 2 ) complex and its isotopologue 35 Cl - (D 2 ).

P. Halvick, T. Stoecklin, M. Lara-Moreno, 2020 .

Photolysis of methane revisited at 121.6 nm and at 118.2 nm: quantum yields of the primary products, measured by mass spectrometry.

R. Lucchese, J. Loison, P. Halvick, 2011, Physical chemistry chemical physics : PCCP.

Unveiling the Ionization Energy of the CN Radical.

J. Loison, G. García, P. Halvick, 2017, The journal of physical chemistry letters.

A theoretical study of acetylene: toward the complete characterization of the singlet ground state potential energy surface

D. Liotard, J. Rayez, P. Halvick, 1993 .

Exact quantum dynamics and tests of the distorted-wave approximation for the O(3P)+ HD reaction

D. Kouri, D. Truhlar, D. Schwenke, 1990 .

The interaction of MnH(X 7Sigma+) with He: ab initio potential energy surface and bound states.

P. Halvick, T. Stoecklin, F. Turpin, 2010, The Journal of chemical physics.

Explanation of efficient quenching of molecular ion vibrational motion by ultracold atoms

M. Hochlaf, P. Halvick, T. Stoecklin, 2016, Nature Communications.

Theoretical study of the buffer-gas cooling and trapping of CrH(X6Σ+) by 3He atoms.

G. Chałasiński, Michał Hapka, J. Kłos, 2016, The Journal of chemical physics.

Analytical representations of high level ab initio potential energy curves of the C 2 molecule

Jean Claude Rayez, J. Rayez, P. Halvick, 2000 .

A geometric model for the regular dynamical behaviour of collinear three-atom reactions involving an intermediate well

L. Bonnet, J. Rayez, P. Halvick, 1993 .

Direct calculation of the reactive transition matrix by L2 quantum mechanical variational methods with complex boundary conditions

D. Kouri, D. Truhlar, C. Yu, 1989 .

Collinear quantum wave packet study of exothermic A + BC reactions involving an intermediate complex of linear geometry. Application to the C + NO reaction

J. Rayez, P. Halvick, M. Monnerville, 1993 .

Time-dependent calculation of the energy resolved state-to-state transition probabilities for three-atom exchange reactions

J. Rayez, P. Halvick, M. Monnerville, 1992 .

Three-dimensional time-dependent study of a reaction involving three different heavy atoms and a very deep well: application to the C+NO→CN+O exchange reaction

P. Halvick, G. Péoux, M. Monnerville, 2000 .

Full-Dimensional Theory of Pair-Correlated HNCO Photofragmentation.

J. S. Francisco, M. Hochlaf, L. Bonnet, 2017, The journal of physical chemistry letters.

Semiclassical and Quantum Mechanical Calculations of Isotopic Kinetic Branching Ratios for the Reactionof O(3P) with HD

B. C. Garrett, Gillian C. Lynch, D. Kouri, 1989 .

Coupled ab initio potential energy surfaces for the two lowest 2A′ electronic states of the C2H molecule

A. Varandas, P. Halvick, A. Voronin, 2000 .

Rotational (de-)excitation of C3N− by collision with He atoms

P. Halvick, T. Stoecklin, M. Lara-Moreno, 2017 .

Four-atom exoergic indirect reactions A+BCD → AB+CD. 1D-QCT study of some topological factors influencing the energetic distribution of the products

J. Rayez, P. Halvick, M. Rayez, 1989 .

Rovibrational energy transfer in the He-C3 collision: potential energy surface and bound states.

P. Halvick, T. Stoecklin, O. Denis-Alpizar, 2014, Journal of Chemical Physics.

Theoretical study of the buffer-gas cooling and trapping of CrH(X6Σ+) by 3He atoms.

G. Chałasiński, Michał Hapka, J. Kłos, 2013, The Journal of chemical physics.

Spin-orbit quenching of the C+(2P) ion by collisions with para- and ortho-H2.

P. Halvick, T. Stoecklin, F. Lique, 2013, The Journal of chemical physics.

Rotational relaxation of CS by collision with ortho- and para-H2 molecules.

M. Dubernet, P. Halvick, T. Stoecklin, 2008, The Journal of chemical physics.