J. Rayez

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Quasiclassical trajectory method for molecular scattering processes: necessity of a weighted binning approach

L. Bonnet, J. Rayez, 1997 .

Parity conservation and polarization of differential cross sections in complex-forming chemical reactions.

P. Larrégaray, T. González-Lezana, L. Bonnet, 2006, Physical chemistry chemical physics : PCCP.

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.

Modelling of reagent reorientation and tunneling in the activated exchange reaction N(2D) + H2 → NH + H

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

Validity of phase space theory for atom-diatom insertion reactions.

P. Larrégaray, L. Bonnet, J. Rayez, 2006, The journal of physical chemistry. A.

On the theory of complex-forming chemical reactions: effect of parity conservation on the polarization of differential cross sections.

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

Study of the H+O2 reaction by means of quantum mechanical and statistical approaches: the dynamics on two different potential energy surfaces.

Sean C. Smith, P. Larrégaray, M. Hankel, 2008, The Journal of chemical physics.

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.

Gas-phase reaction of hydroxyl radical with hexamethylbenzene.

J. Loison, J. Rayez, Pranay P. Morajkar, 2012, The journal of physical chemistry. A.

Molecular dynamics simulation study of water adsorption on hydroxylated graphite surfaces.

J. Rayez, S. Picaud, Sylvain Picaud, 2006, The journal of physical chemistry. B.

Stereoselectivity as a Probe of Unexpected Reaction Pathways

P. Larrégaray, L. Bonnet, J. Rayez, 2007 .

Water vapor effect on the HNO3 yield in the HO2 + NO reaction: experimental and theoretical evidence.

N. Butkovskaya, G. Le Bras, J. Rayez, 2009, The journal of physical chemistry. A.

Vibrational predissociation of van der Waals complexes: Quasi-classical results with Gaussian-weighted trajectories

M. L. González-Martínez, L. Bonnet, J. Rayez, 2008 .

Some key factors of energy distributions in the products of complex-forming elementary reactions

L. Bonnet, J. Rayez, 1999 .

Theoretical study of the H3− cluster

J. Rayez, M. T. Rayez-Meaume, L. J. Massa, 1981 .

Isomerisation reactions of alkoxy radicals: theoretical study and structure–activity relationships

J. Rayez, F. Caralp, M. Rayez, 2003 .

Theoretical study of alkoxyl radical decomposition reactions: structure–activity relationships

J. Rayez, F. Caralp, M. Rayez, 2000 .

A new semi-empirical model for the oxidation of PAHs physisorbed on soot. I. Application to the reaction C6H6+OH

J. Rayez, J. Rayez, S. Picaud, 2009 .

Surface temperature effects on the dynamics of N2 Eley-Rideal recombination on W(100).

L. Martin-Gondre, C. Crespos, P. Larrégaray, 2013, The Journal of chemical physics.

Alkoxyl radical decomposition explained by a valence-bond model

P. Hiberty, J. Rayez, M. Rayez, 2001 .

Kinetics and mechanism of the photo-oxidation of formaldehyde. 1. Flash photolysis study

R. A. Cox, B. Veyret, R. Lesclaux, 1989 .

Kinetics and Mechanism of the Photooxidation of Formaldehyde. Part 1. Flash Photolysis Study

R. A. Cox, B. Veyret, R. Lesclaux, 1989 .

On the dynamics of H2 desorbing from a Pt(111) surface

D. Liotard, L. Bonnet, J. Rayez, 2005 .

Theoretical study on the comparative fate of the 1-butoxy and β-hydroxy-1-butoxy radicals

J. Rayez, F. Caralp, M. Rayez, 2000 .

A reinvestigation of the kinetics and the mechanism of the CH3C(O)O2 + HO2 reaction using both experimental and theoretical approaches.

J. Rayez, M. Rayez, E. Villenave, 2006, Physical chemistry chemical physics : PCCP.

Theoretical study on the atmospheric fate of carbonyl radicals: kinetics of decomposition reactions

R. Lesclaux, J. Rayez, F. Caralp, 2001 .

Theoretical study of the kinetics of the hydrogen abstraction from methanol, 1. Reaction of methanol with fluorine atoms

S. Dóbé, J. Rayez, T. Bérces, 1998 .

Rate Coefficients for the Gas Phase Reactions of CF3CH2F (HFC-134a) with Chlorine and Fluorine Atoms: Experimental and ab Initio Theoretical Studies

J. Rayez, M.-T. Rayez and, Florent Louis, 1997 .

Kinetic Study of the Gas-Phase Reactions of Nitrate Radicals with Methoxyphenol Compounds: Experimental and Theoretical Approaches.

C. Coeur, Amélie Lauraguais, A. Cassez, 2016, The journal of physical chemistry. A.

Mechanisms of Atmospheric Oxidation of the Alkanes.Von Jack G. Calvert et al..

R. Lesclaux, J. Rayez, 2009 .

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 .

On product state distributions in triatomic unimolecular reactions: IV. Selfconsistency of the statisticodynamical approach

P. Larrégaray, L. Bonnet, J. Rayez, 2004 .

Kinematic rotations in RRKM theory

L. Bonnet, J. Rayez, 2001 .

Crossed beam studies of the O(3P,1D)+CH3I reactions: Direct evidence of intersystem crossing

N. Balucani, P. Casavecchia, L. Bonnet, 1999 .

Kinetics of the reaction of SF6− with O3

V. Catoire, D. Labonnette, J. Rayez, 2001 .

Kinetics of the combination reactions of chlorofluoromethylperoxy radicals with NO2 in the temperature range 233–373 K

W. Forst, R. Lesclaux, J. Rayez, 1988 .

CH3C(O)OCH(O˙)CH3 alkoxy radical derived from ethyl acetate: Novel rearrangement confirmed by computational chemistry

J. Rayez, B. Picquet-Varrault, F. Caralp, 2002 .

Classical photodissociation dynamics with Bohr quantization: Application to the fragmentation of a van der Waals cluster

P. Larrégaray, L. Bonnet, J. Rayez, 2012 .

A CRYSTAL-based parameterization of carbon atom dynamic polarizabilities to compute optical properties of curved carbonaceous nanostructures

M. Rérat, J. Rayez, M. Devel, 2022, Theoretical Chemistry Accounts.

Comparative study of the pK of acridine, thionine and phenazine molecules in their first excited singlet and triplet states

R. Constanciel, J. Rayez, O. Chalvet, 1975 .

Acid-Base Equilibrium of Conjugated Molecules in their First Excited States

R. Constanciel, J. Rayez, O. Chalvet, 1974 .

A CRYSTAL-based parameterization of carbon atom dynamic polarizabilities to compute optical properties of curved carbonaceous nanostructures

M. Rérat, J. Rayez, M. Devel, 2022, Theoretical Chemistry Accounts.

Theoretical study of the reaction C(3P) + N2O(X1Σ+). II. Dynamical trajectory studies on a three-atom model

J. Rayez, M. Rayez, B. Duguay, 1984 .

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

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

A model of exit-channel corrected state distributions in the products of three-atom barrierless unimolecular reactions

L. Bonnet, J. Rayez, 1999 .

The classical statistical theory of three‐atom reactions governed by short‐range forces: Energy transfers and recoil energy distribution

L. Bonnet, J. Rayez, 1995 .

Substitution effects enhancing the lasing ability of organic compounds

J. Rayez, C. Rullière, L. Ducasse, 1978 .

Lasing ability of naphthyl 1,3,4 oxadiazole molecules in relation with their structures: Application to the design of new UV dye laser

J. Rayez, C. Rullière, 1976 .

Theoretical study of the gas-phase reactions of NO3 radical with a series of trans-2-unsaturated aldehydes: from acrolein to trans-2-octenal.

J. Rayez, B. Picquet-Varrault, Jamila Kerdouci, 2014, The journal of physical chemistry. A.

Vibrational deactivation of F2(ν=1,j=0) by 1H at very low energy

J. Rayez, T. Stoecklin, A. Voronin, 2004 .

Vibrational quenching of HF(ν=1,j) molecules by 3He atoms at very low energy

J. Rayez, T. Stoecklin, A. Voronin, 2003 .

Ion-induced dipole H−n clusters

A. Sapse, J. Rayez, M. T. Rayez-Meaume, 1979, Nature.

Molecular aspect of the even–odd effect in cyanobiphenyls (nCB): Theoretical studies of the molecular geometrical conformation and optical anisotropy. I. n≤6

J. Lalanne, A. Proutière, J. Rayez, 1984 .

Theoretical Study of the Kinetics of the Hydrogen Abstraction from Methanol. 2. Reaction of Methanol with Chlorine and Bromine Atoms

S. Dóbé, J. Rayez, T. Bérces, 1998 .

Experimental and theoretical studies of the thermal degradation of a phenolic dibenzodioxocin lignin model

A. Castellan, J. Rayez, R. Ruggiero, 2012, Wood Science and Technology.

Theoretical approach of the mechanism of the reactions of chlorine atoms with aliphatic aldehydes

J. Rayez, M. Rayez, E. Villenave, 2011 .

Topological Study of the Protonation of Conjugated Compounds in the Ground State and in the First Excited Singlet and Triplet States

J. Rayez, J. Hoarau, J. Joussot‐Dubien, 1976 .

Reactivity Indices and Acido-Basic Behavior of Aromatic Compounds in their Excited States

J. Rayez, 1976 .

Influence of a silyl group on an allylic position. A theoretical approach

J. Pillot, G. Déléris, J. Rayez, 1980 .

Theoretical study of a series of alkyllithium clusters

Jean Claude Rayez, P. Verstraete, P. Verstraete, 2003 .

Conformational analysis of [n]paracyclophanes and [n] Dewar benzenes by simulated annealing and local methods

D. Liotard, J. Rayez, F. Bockisch, 1993 .

Theoretical studies of [n]paracyclophanes and their valence isomers

D. Liotard, J. Rayez, F. Bockisch, 1993 .

Theoretical studies of [n]paracyclophanes and their valence isomers. I. Geometries, strain energies, and enthalpies of the inter‐conversions of [n]paracyclophanes and their Dewar benzee isomers

D. Liotard, J. Rayez, J. Rayez, 1992 .

A photochemical way from [7]paracyclophane to [7]Dewar benzene?

D. Liotard, J. Rayez, F. Bockisch, 1992 .

The Si-B chromophore : A joint experimental and theoretical investigation

D. Liotard, J. Pillot, J. Rayez, 2008 .

Infrared spectroscopy studies and MNDO/d calculations in organosilylborane series

D. Liotard, J. Pillot, J. Mascetti, 2003 .

Monoallylstannanes, reagents for allylic radical transfer. Part I

J. Rayez, E. Fouquet, M. Rayez, 2001 .

Statisticodynamical approach of final state distributions in associative desorptions.

L. Bonnet, J. Rayez, A. Perrier, 2006, The Journal of chemical physics.

A theoretical study of biphenylene in its ground and excited states

J. Rayez, J. Dannenberg, Emile Kassab, 1980 .

FIRST EVIDENCE OF VISIBLE-RANGE ABSORBING SI-B CHROMOPHORES

D. Liotard, J. Pillot, J. Rayez, 1997 .

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

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

An experimental and theoretical investigation of the gas-phase benzene–OH radical adduct + O2 reaction

R. Lesclaux, J. Rayez, M. Rayez, 2002 .

The effect of changing the electronic configurations of the excited states on the rate constant of photocyclization of aryl ethylenes

J. Rayez, R. Lapouyade, P. F. D. Violet, 1982 .

Structures and Si–N bond strengths of some cyclodi- and cyclotrisilazanes

C. Brochon, J. Rayez, A. Soum, 1999 .

Theoretical analysis of the cycloaddition of ethylene

J. Rayez, J. Dannenberg, Emile Kassab, 1980 .

Photophysics of aryl substituted 1,3,4-oxadiazoles. II. SCF Cl calculations in different molecular configurations and assignment of the T1 → Tn spectra of αNPD and βNPD

J. Rayez, C. Rullière, P. C. Roberge, 1979 .

Triplet–triplet absorption of some aryl-substituted 1,3,4-oxadiazoles

J. Rayez, C. Rullière, P. C. Roberge, 1978 .

Molecular aspect of the even-odd effect in cyanobiphenyls (n-CB): Theoretical studies of the molecular geometrical conformation and optical anisotropy. II. n ⪢ 6

J. Lalanne, A. Proutière, J. Rayez, 1986 .

Trajectory surface hopping study of the C + CH reaction

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

On product state distributions in triatomic unimolecular reactions

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

On product state distributions in triatomic unimolecular reactions: Beyond phase space theory and the adiabatic assumption

P. Larrégaray, L. Bonnet, J. Rayez, 2001 .

Quasi-classical statistico-dynamical description of polyatomic photo-dissociations: state-resolved distributions.

M. L. González-Martínez, P. Larrégaray, L. Bonnet, 2009, Physical chemistry chemical physics : PCCP.

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 .

Theoretical study of the reaction C(3P)+N2O(X 1Σ+). I. Potential energy surfaces

J. Rayez, M. Rayez, B. Duguay, 1983 .

Reaction of methylidyne radical with CH4 and H2S: overall rate constant and absolute atomic hydrogen production

P. Fleurat‐Lessard, J. Loison, J. Rayez, 2002 .

Statisticodynamical approach of state distributions in the products of four-atom planar unimolecular reactions. I. Formal developments for conserved vibrations.

P. Larrégaray, L. Bonnet, J. Rayez, 2004, The Journal of chemical physics.

On the classical approach of microcanonical statistical theory of three-atom reactions governed by long-range forces

L. Bonnet, J. Rayez, 1995 .

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 .

Exact, Born-Oppenheimer, and quantum-chemistry-like calculations in helium clusters doped with light molecules: The He2N2(X) system.

O. Roncero, G. Delgado-barrio, J. Rayez, 2008, The Journal of chemical physics.

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 .

Ab initio theoretical studies of the reactions between fluorine atoms and halomethanes of type CHCl3-xFx (x=0, 1, 2 or 3)

J. Rayez, J. Sawerysyn, M. Rayez, 1999 .

Theoretical study of the kinetics of the hydrogen abstraction from methanol. 3. Reaction of methanol with hydrogen atom, methyl, and hydroxyl radicals

Jean Claude Rayez, S. Dóbé, J. Rayez, 1999 .

Rate constant calculations for atom-diatom reactions involving an open shell atom and a molecule in a Π electronic state: Application to the reaction

J. Rayez, T. Stoecklin, A. Beghin, 1995 .

A comparative study of the Si+O(2)-->SiO+O reaction dynamics from quasiclassical trajectory and statistical based methods.

P. Larrégaray, T. González-Lezana, L. Bonnet, 2008, The Journal of chemical physics.

Gaussian weighting in the quasiclassical trajectory method

L. Bonnet, J. Rayez, 2004 .

Theoretical study of the reaction C(3P)+SH(X 2Π). IV. A quasi-classical trajectory study of the reaction at 300 K

J. Rayez, B. Duguay, T. Stoecklin, 1990 .

Theoretical study of the reaction C(3P)+SH(X2Π). III. Two analytic models of the lowest potential energy surface

J. Rayez, T. Stoecklin, B. Duguay, 1990 .

Reversible addition of the OH radical to p-cymene in the gas phase: multiple adduct formation. Part 2.

C. Zetzsch, B. Bohn, J. Rayez, 2014, Physical chemistry chemical physics : PCCP.

Experimental and theoretical study of the reaction of OH radical with sabinene.

J. Doussin, N. Carrasco, J. Rayez, 2006, Physical chemistry chemical physics : PCCP.

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

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

Dynamics simulation of N(2) scattering onto W(100,110) surfaces: A stringent test for the recently developed flexible periodic London-Eyring-Polanyi-Sato potential energy surface.

L. Martin-Gondre, C. Crespos, P. Larrégaray, 2010, The Journal of chemical physics.

Detailed description of the flexible periodic London–Eyring–Polanyi–Sato potential energy function

L. Martin-Gondre, C. Crespos, P. Larrégaray, 2010 .

Is the LEPS potential accurate enough to investigate the dissociation of diatomic molecules on surfaces

L. Martin-Gondre, C. Crespos, P. Larrégaray, 2009 .

Transition State Theory: A Reaction Dynamics Tool Applied to Gas-Surface Reactions

P. Larrégaray, L. Bonnet, J. Rayez, 2009 .

A theoretical characterization of the interaction of water with oxidized carbonaceous clusters

J. Rayez, S. Picaud, M. Rayez, 2010 .

Interaction of water molecules with defective carbonaceous clusters: An ab initio study

J. Rayez, S. Picaud, M. Rayez, 2010 .

Pressure dependence of butyl nitrate formation in the reaction of butylperoxy radicals with nitrogen oxide.

N. Butkovskaya, A. Kukui, G. Le Bras, 2015, The journal of physical chemistry. A.

Theoretical study of the spectroscopic properties of 1,3,6,8-tetraphenyl-pyrene (related to pyrene): evidence for a new T1 → Tn transition (symmetry type B−1g ← B+2u) in the UV

J. Rayez, C. Rullière, 1979 .

Dynamical derivation of Eyring equation and the second-order kinetic law

L. Bonnet, Jean Claude Rayez, L. Bonnet, 2010 .

Barium Cation Complexation by Flexible Mono‐ and Ditopic Receptors, Studied by UV Absorption and Fluorescence Spectroscopy

E. Pérez-Inestrosa, J. Rayez, M. Rayez, 2002 .

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 .

Adsorption of atmospheric oxidants at divacancy sites of graphene: A DFT study

J. Rayez, S. Picaud, M. Rayez, 2013 .

Structure and reactivity of carbon multivacancies in graphene

J. Rayez, S. Picaud, M. Rayez, 2012 .

Dynamical reaction pathways in Eley-Rideal recombination of nitrogen from W(100).

L. Martin-Gondre, C. Crespos, P. Larrégaray, 2012, The Journal of chemical physics.

Adsorption of atomic oxygen on the Cu(1 0 0) surface

E. Arquis, A. Salin, J. Rayez, 2005 .

A new semi-empirical model for the oxidation of polycyclic aromatic hydrocarbon (PAHs) molecules physisorbed on soot. II. Application to the reaction PAH + OH for a series of large PAH molecules

D. Liotard, J. Rayez, S. Picaud, 2011 .

Role of the middle and long range parts of the NO2 potential energy surfaces: anomalous density of states and recombination rate constant

S. Heilliette, J. Rayez, T. Stoecklin, 2003 .

Density of Loosely Bound States in a Triatomic Molecule: The Role of Long Range Interactions

S. Heilliette, B. Abel, J. Rayez, 2001 .

Vibrational quenching of N 2 ( ν = 1 , j rot = j ) by 3 He : Surface and close-coupling calculations at very low energy

J. Rayez, T. Stoecklin, A. Voronin, 2002 .

The effect of geometrical optimization on the calculated indo potentials for internal rotation

J. Rayez, J. Dannenberg, 1976 .

On the key factors of angular correlations in complex-forming elementary reactions

Laurent Bonnet, L. Bonnet, J. Rayez, 2006 .

Statistical treatment of recoil energy and angular distributions in the products of the reactions O(1D, 3P)+ICH3→OI+CH3

P. Casavecchia, L. Bonnet, J. Rayez, 2000 .

Main factors influencing the recoil energy distribution in the products of three‐atom reactions governed by long‐range forces and proceeding through long‐lived complexes

L. Bonnet, J. Rayez, 1995 .

Kinetic and Mechanistic Study of the Reactions of NO3 Radicals with Unsaturated Aldehydes: 2-Butenal, 2-Methyl-2-butenal, and 3-Methyl-2-butenal.

M. Duncianu, M. Cirtog, J. Rayez, 2022, The journal of physical chemistry. A.

Statistical analysis of the recoil energy distributions in the products of the unimolecular dissociations of NO2 and C2O

L. Bonnet, J. Rayez, 1998 .

Simulated annealing to locate various stationary points in semiempirical methods

D. Liotard, J. Rayez, F. Bockisch, 1992 .

Ab Initio Studies of the Reactions of Chlorine Atoms with Fluoro- and Chloro-Substituted Methanes

J. Rayez, J. Sawerysyn, M. Rayez, 1994 .

Experimental and theoretical studies of the thermal degradation of a phenolic dibenzodioxocin lignin model

A. Castellan, J. Rayez, R. Ruggiero, 2012, Wood Science and Technology.

A theoretical study of the effect of solvation by trifluoroacetic acid upon the electrophilic substitution of toluene

J. Rayez, J. Dannenberg, 1977 .

Theoretical Study of the Reaction CH(Χ2Π) + NO(Χ2Π). 3. Determination of the Branching Ratios

J. Rayez, N Marchand, Jc Rayez, 1998 .

Theoretical Study of the Reaction CH(X2Π) + NO(X2Π). I. Determination of Some Reaction Paths in the Lowest Triplet Potential Energy Surface

D. Liotard, J. Rayez, N. Marchand, 1997 .

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 .

Gas phase oxidation of benzene: Kinetics, thermochemistry and mechanism of initial steps

R. Lesclaux, J. Rayez, M. Rayez, 2004 .

Hydrogen chloride adsorption on large defective PAHs modeling soot surfaces and influence on water trapping: A DFT and AIMD study

L. Martin-Gondre, J. Rayez, S. Picaud, 2019, Chemical Physics.

Mechanism of the photooxidation of formaldehyde studied by flash photolysis of formaldehyde-oxygen-nitric oxide mixtures

B. Veyret, R. Lesclaux, J. Rayez, 1982 .

Classical dynamics of dissociative adsorption for a nonactivated system: The role of zero point energy

C. Crespos, H. F. Busnengo, A. Salin, 2002 .

Role of orientational forces in nonactivated molecular dissociation on a metal surface

W. Dong, C. Crespos, H. F. Busnengo, 2001 .

Optimal spectral filtering in a finite subspace: a Lanczos-based implementation

Sean C. Smith, Jean-Claude Rayez, Hua-Gen Yu, 1999 .

Adsorption of water molecules on partially oxidized graphite surfaces: a molecular dynamics study of the competition between OH and COOH sites.

J. Rayez, S. Picaud, B. Collignon, 2008, Physical chemistry chemical physics : PCCP.

A semi-empirical potential model for calculating interactions between large aromatic molecules and graphite surfaces

D. Liotard, J. Rayez, S. Picaud, 2006 .

Water adsorption on oxidized single atomic vacancies present at the surface of small carbonaceous nanoparticles modeling soot.

J. Rayez, S. Picaud, M. Rayez, 2010, Chemphyschem : a European journal of chemical physics and physical chemistry.

Theoretical characterization of the reaction of hydroperoxy with formaldehyde

E. M. Evleth, C. F. Melius, Jean Claude Rayez, 1993 .

Clustering of water molecules on model soot particles: an ab initio study

J. Rayez, S. Picaud, B. Collignon, 2005 .

Rotational excitation and de-excitation of HF molecules by He atoms

A. Voronin, C. Reese, J. Rayez, 2005 .

Vibrational deactivation of F{sub 2}({nu}=1, j=0) by {sup 3}He at very low energy: A comparative study with the He-N{sub 2} collision

J. Rayez, T. Stoecklin, A. Voronin, 2003 .

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 .

Relaxation of hot atoms following H2 dissociation on a Pd111 surface.

H. F. Busnengo, A. Salin, J. Rayez, 2005, The Journal of chemical physics.

Ab initio study of the water adsorption on hydroxylated graphite surfaces

J. Rayez, S. Picaud, Sylvain Picaud, 2005 .

Transformation from angle-action variables to Cartesian coordinates for polyatomic reactions.

M. L. González-Martínez, P. Larrégaray, L. Bonnet, 2008, The Journal of chemical physics.

Classical treatment of molecular collisions: striking improvement of the description of recoil energy distributions using Gaussian weighted trajectories.

M. L. González-Martínez, P. Larrégaray, L. Bonnet, 2007, The Journal of chemical physics.

Mean potential phase space theory of chemical reactions.

P. Larrégaray, L. Bonnet, J. Rayez, 2007, The Journal of chemical physics.

First-principles study of the interaction between NO and large carbonaceous clusters modeling the soot surface.

J. Rayez, S. Picaud, J. Rubayo-Soneira, 2014, The journal of physical chemistry. A.

Exact, Born-Oppenheimer, and quantum-chemistry-like calculations in helium clusters doped with light molecules: The He2N2(X) system.

O. Roncero, J. Rayez, T. Stoecklin, 2008, The Journal of chemical physics.