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1

A theoretical study of the abstraction reactions of hydroxyl radicals with halogenated aldehydes

M.T. Rayez, D.J. Scollard, J.J. Treacy, H.W. Sidebottom, C. Balestra-Garcia, S. Téton, G. Le Bras

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 597 KB

english, 1994

2

Analytical representations of high level ab initio potential energy curves of the C2 molecule

M. Boggio-Pasqua, A.I. Voronin, Ph. Halvick, J.-C. Rayez

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2000

Language:

english

File:

PDF, 165 KB

english, 2000

3

Comment on the Possibility of Excited Recoil Energy Distributions in the Products of Complex-Forming Reactions with No Exit Barrier

Bonnet, L., Rayez, J. C.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 20 KB

english, 1998

4

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

Quintas-Sánchez, E., Larrégaray, P., Crespos, C., Martin-Gondre, L., Rubayo-Soneira, J., Rayez, J.-C.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.61 MB

english, 2012

5

Le "Dictionnaire de Spiritualité"

Journal:

Year:

1955

Language:

french

File:

PDF, 995 KB

french, 1955

6

Kinetics of the reaction of SF6- with O3

Catoire, V., Ste´pien, C., Labonnette, D., Rayez, J.-C., Rayez, M.-T., Poulet, G.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 136 KB

english, 2001

7

Water Adsorption on Oxidized Single Atomic Vacancies Present at the Surface of Small Carbonaceous Nanoparticles Modeling Soot

Mohamed Oubal, Dr. Sylvain Picaud, Dr. Marie-Thérèse Rayez, Prof. Jean-Claude Rayez

Journal:

Year:

2010

Language:

english

File:

PDF, 543 KB

english, 2010

8

Theoretical study of a series of alkyllithium clusters

P. Verstraete, A. Deffieux, A. Fritsch, J.C. Rayez, M.T. Rayez

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 417 KB

english, 2003

9

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

W. Arbelo-González, L. Bonnet, P. Larrégaray, J.-C. Rayez, J. Rubayo-Soneira

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 321 KB

english, 2012

10

Molecular Dynamics Simulation Study of Water Adsorption on Hydroxylated Graphite Surfaces

Picaud, Sylvain, Collignon, B., Hoang, Paul N. M., Rayez, J. C.

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 748 KB

english, 2006

11

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

Larrégaray, P., Bonnet, L., Rayez, J.-C.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 188 KB

english, 2002

12

Chemical activation in OH radical-oxidation of 1-n-alkenes

Caralp, Françoise, Forst, Wendell, Rayez, Marie-Thérèse

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 220 KB

english, 2003

13

Kinetic study of the pressure dependence of the reaction CF3O+NO2at 298 K Rate constant measurements (P=0.5–9Torr) and competition between association (CF3ONO2)and disproportionation (CF2O+FNO2)channels

Caralp, Francoise, Rayez, Marie-The´rèse, Forst, Wendell, Bourbon, Christine, Brioukov, Mikhael, Pascal Devolder, and

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1997

Language:

english

File:

PDF, 306 KB

english, 1997

14

Kinetic Study of the Reactions of CH2ClO2 with Itself and with HO2, and Theoretical Study of the Reactions of CH2ClO, between 251 and 600 K

Catoire, Valery, Lesclaux, Robert, Lightfoot, Phillip D., Rayez, Marie Therese

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 1.22 MB

english, 1994

15

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

Journal:

The Journal of Chemical Physics

Year:

1983

Language:

english

File:

PDF, 720 KB

english, 1983

16

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

Halvick, P., Rayez, J. C., Evleth, E. M.

Journal:

The Journal of Chemical Physics

Year:

1984

Language:

english

File:

PDF, 952 KB

english, 1984

17

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

Rayez, Jean-Claude, Bonnet, Laurent, Larrégaray, Pascal, Perrier, Aurélie

Journal:

Molecular Science

Year:

2009

Language:

english

File:

PDF, 1.65 MB

english, 2009

18

Modified perturbation-variation method for calculating spin-spin coupling constants

M.T. Rayez-Meaume, J. Hoarau

Journal:

Chemical Physics Letters

Year:

1975

Language:

english

File:

PDF, 224 KB

english, 1975

19

Ab initio calculation of nuclear spin—spin coupling constant of HF and CN−

M.T. Rayez, E. Neumann, J. Hoarau, F. Achard

Journal:

Chemical Physics

Year:

1982

Language:

english

File:

PDF, 497 KB

english, 1982

20

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

L. Martin-Gondre, C. Crespos, P. Larrégaray, J.C. Rayez, D. Conte, B. van Ootegem

Journal:

Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.03 MB

english, 2010

21

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

M.T. Rayez, J.C. Rayez, E. Villenave

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 597 KB

english, 2011

22

Ab initio study of the water adsorption on hydroxylated graphite surfaces

B. Collignon, P.N.M. Hoang, S. Picaud, J.C. Rayez

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 230 KB

english, 2005

23

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

B. Collignon, P.N.M. Hoang, S. Picaud, D. Liotard, M.T. Rayez, J.C. Rayez

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 667 KB

english, 2006

24

Un modèle de transfert énergétique rotation-translation lors de dissociations unimoléculaires à trois atomes

Laurent Bonnet, Jean-Claude Rayez

Journal:

Comptes Rendus de l'Académie des Sciences - Series IIC - Chemistry

Year:

1998

Language:

english

File:

PDF, 683 KB

english, 1998

25

First evidence of visible-range absorbing Si–B chromophores

Pillot, J.-P., Birot, M., Bonnefon, E., Dunoguès, J., Rayez, J.-C., Rayez, M.-T., Liotard, D., Desvergne, J.-P.

Journal:

Chemical Communications

Year:

1997

Language:

english

File:

PDF, 98 KB

english, 1997

26

Kinetic study of the reactions of CF3O2 radicals with Cl and NO

Louis, Florent, Burgess, Jr., Donald R., Rayez, Marie-The´rèse, Sawerysyn, Jean-Pierre

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 179 KB

english, 1999

27

Rate Coefficients of the Reactions of Chlorine Atoms with Haloethanes of Type CH 3 CCl 3- x F x ( x = 0, 1, and 2): Experimental and ab Initio Theoretical Studies

Talhaoui, A., Louis, F., Devolder, P., Meriaux, B., Sawerysyn, J.-P., Rayez, M.-T., Rayez, J.-C.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 541 KB

english, 1996

28

Exact, Born–Oppenheimer, and quantum-chemistry-like calculations in helium clusters doped with light molecules: The He[sub 2]N[sub 2](X) system

Roncero, O., de Lara-Castells, M. P., Delgado-Barrio, G., Villarreal, P., Stoecklin, T., Voronin, A., Rayez, J. C.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 803 KB

english, 2008

29

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

Jean-Claude Rayez, Robert Lesclaux

Journal:

Angewandte Chemie

Year:

2009

Language:

german

File:

PDF, 154 KB

german, 2009

30

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

Jean-Claude Rayez, Robert Lesclaux

Journal:

Angewandte Chemie International Edition

Year:

2009

Language:

english

File:

PDF, 154 KB

english, 2009

31

Theoretical analysis of the cycloaddition of ethylene

E. Kassab, E.M. Evleth, J.J. Dannenberg, J.C. Rayez

Journal:

Chemical Physics

Year:

1980

Language:

english

File:

PDF, 1.07 MB

english, 1980

32

Gaussian weighting in the quasiclassical trajectory method

Laurent Bonnet, Jean-Claude Rayez

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 264 KB

english, 2004

33

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

Picaud, Sylvain, Collignon, Barbara, Hoang, Paul N. M., Rayez, Jean-Claude

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.20 MB

english, 2008

34

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

Me´reau, R., Rayez, M. T., Caralp, F., Rayez, J. C.

Journal:

Physical Chemistry Chemical Physics

Year:

2000

Language:

english

File:

PDF, 232 KB

english, 2000

35

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

BOGGIO-PASQUA, M., VORONIN, A. I., HALVICK, PH., RAYEZ, J.-C., VARANDAS, A. J. C.

Journal:

Molecular Physics

Year:

2000

Language:

english

File:

PDF, 1.02 MB

english, 2000

36

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

Bonnet, Laurent, Larrégaray, Pascal, Rayez, Jean-Claude

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 413 KB

english, 2004

37

collision

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

Journal:

Physical Review A

Year:

2003

Language:

english

File:

PDF, 136 KB

english, 2003

38

Stereoselectivity as a Probe of Unexpected Reaction Pathways

Bonnet, Laurent, Larrégaray, Pascal, Duguay, Bernard, Rayez, Jean-Claude, Che, Dock-Chil, Kasai, Toshio

Journal:

Bulletin of the Chemical Society of Japan

Year:

2007

Language:

english

File:

PDF, 217 KB

english, 2007

39

A theoretical study of biphenylene in its ground and excited states

J.C. Rayez, J.J. Dannenberg, E. Kassab, E.M. Evleth

Journal:

Journal of Molecular Structure

Year:

1980

Language:

english

File:

PDF, 681 KB

english, 1980

40

Theoretical Study of the Reaction CH(Χ 2 Π) + NO(Χ 2 Π). 3. Determination of the Branching Ratios

Marchand, N., Rayez, J. C., Smith, S. C.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 118 KB

english, 1998

41

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

M�reau, Rapha�l, Rayez, Marie-Th�r�se, Caralp, Fran�oise, Rayez, Jean-Claude

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 138 KB

english, 2003

42

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

Rayez,, Collignon,, Picaud,, Hoang,

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 318 KB

english, 2005

43

ChemInform Abstract: MECHANISM OF THE PHOTOOXIDATION OF FORMALDEHYDE STUDIED BY FLASH PHOTOLYSIS OF FORMALDEHYDE-OXYGEN-NITRIC OXIDE MIXTURES

VEYRET, B., RAYEZ, J.-C., LESCLAUX, R.

Journal:

Chemischer Informationsdienst

Year:

1982

File:

PDF, 101 KB

1982

44

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

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

Journal:

Chemical Physics

Year:

1990

Language:

english

File:

PDF, 1.23 MB

english, 1990

45

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

L. Bonnet, J.C. Rayez

Journal:

Chemical Physics

Year:

1995

Language:

english

File:

PDF, 816 KB

english, 1995

46

Some New Aspects of Product Distribution Functions for Three-Atom Unimolecular Reactions Performed in Beam Experiments

Bonnet, L., Rayez, J. C.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 248 KB

english, 1997

47

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

Louis, Florent, Rayez, Marie-The´rèse, Rayez, Jean-Claude, Sawerysyn, Jean-Pierre

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 134 KB

english, 1999

48

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

Bonnet, L., Larr?garay, P., Rayez, J.-C.

Journal:

Physical Chemistry Chemical Physics

Year:

2007

Language:

english

File:

PDF, 892 KB

english, 2007

49

Kinetics and thermochemistry of the reaction: trichloromethyl + nitric oxide + M .dblarw. trichloronitrosomethane + M

Masanet, J., Caralp, F., Jemi-Alade, A. A., Lightfoot, P. D., Lesclaux, R., Rayez, M. T.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1023 KB

english, 1993

50

Comment about the use of Monte-Carlo methodology for the representation of atomic electronic densities

Hoarau, Jean, Rayez, Jean-Claude

Journal:

European Journal of Physics

Year:

2016

Language:

english

File:

PDF, 1.95 MB

english, 2016

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