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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

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

5

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

6

Le "Dictionnaire de Spiritualité"

Journal:

Year:

1955

Language:

french

File:

PDF, 995 KB

french, 1955

7

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

Ezequiel Perez-Inestrosa, Jean-Pierre Desvergne, Henri Bouas-Laurent, Jean-Claude Rayez, Marie-Thérèse Rayez, Michel Cotrait, Pierre Marsau

Journal:

European Journal of Organic Chemistry

Year:

2002

Language:

english

File:

PDF, 661 KB

english, 2002

8

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

9

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

10

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

11

Gas-phase detection of the HBCC (X1Σ) molecule: a combined crossed beam and computational study of the B(2P)+C2H2(1Σg+) reaction

N. Balucani, O. Asvany, Y. T. Lee, R. I. Kaiser, N. Galland, M. T. Rayez, Y. Hannachi

Journal:

Journal of Computational Chemistry

Year:

2001

Language:

english

File:

PDF, 186 KB

english, 2001

12

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

F. Bockisch, J.C. Rayez, D. Liotard, B. Duguay

Journal:

Journal of Computational Chemistry

Year:

1992

Language:

english

File:

PDF, 898 KB

english, 1992

13

Interprétation des Profils d'Excitation Obtenus par Raman de Résonance des Modes de Vibration de la Diéthylcyanine

J. C. Rayez, M. T. Forel, T. Mejean

Journal:

Journal of Raman Spectroscopy

Year:

1980

File:

PDF, 491 KB

1980

14

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

15

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

J.C. Rayez, J.J. Dannenberg

Journal:

Chemical Physics Letters

Year:

1976

Language:

english

File:

PDF, 432 KB

english, 1976

16

A theoretical study of the photolytic decomposition of ethane ethylene via a triplet-state ethylidene intermediate

M.T. Rayez-Meaume, C. Decoret, J.J. Dannenberg

Journal:

Chemical Physics Letters

Year:

1978

Language:

english

File:

PDF, 481 KB

english, 1978

17

Substitution effects enhancing the lasing ability of organic compounds

Laurent Ducasse, Jean-Claude Rayez, Claude Rullière

Journal:

Chemical Physics Letters

Year:

1978

Language:

english

File:

PDF, 543 KB

english, 1978

18

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

F. Bockisch, J.-C. Rayez, D. Liotard, B. Duguay

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 452 KB

english, 1992

19

Theoretical study of thermal dissociation and recombination reactions of XONO2 (X = F, Cl, Br, or I)

M.T. Rayez, M. Destriau

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 530 KB

english, 1993

20

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

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

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 532 KB

english, 1993

21

Influence of shape parameters on the separation of tetrachlorodibenzo-p-dioxin isomers on reversed-phase columns

U. Pyell, P. Garrigues, M.T. Rayez

Journal:

Journal of Chromatography A

Year:

1993

Language:

english

File:

PDF, 698 KB

english, 1993

22

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

23

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

Philippe Fornier de Violet, René Lapouyade, Jean-Claude Rayez

Journal:

Journal of Photochemistry

Year:

1982

Language:

english

File:

PDF, 942 KB

english, 1982

24

Calculation of the nuclear spin coupling constant by a variational procedure on a finite part of the second-order perturbed energy

M.T. Rayez-Meaume, J. Hoarau

Journal:

Chemical Physics

Year:

1978

Language:

english

File:

PDF, 473 KB

english, 1978

25

Photophysics of aryl substituted 1,3,4-oxadiazoles. I. SCF CI calculations in different molecular configurations and assignment of the T1→Tn spectrum of 2,5-di-(1-naphthyl)-1,3,4-oxadiazole

Claude Rulliere, Jean-CIaude Rayez, Pierre C. Roberge

Journal:

Chemical Physics

Year:

1979

Language:

english

File:

PDF, 949 KB

english, 1979

26

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

Claude Rullière, Jean-Claude Rayez, Pierre C. Roberge

Journal:

Chemical Physics

Year:

1979

Language:

english

File:

PDF, 770 KB

english, 1979

27

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

28

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

29

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

R. Bouachir, M.T. Rayez, B. Duguay, J.C. Rayez

Journal:

Chemical Physics

Year:

1984

Language:

english

File:

PDF, 937 KB

english, 1984

30

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.R. Lalanne, J.C. Rayez, B. Duguay, A. Proutière, R. Viani

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 592 KB

english, 1986

31

A theoretical study of the decomposition of halogenated alkoxy radicals. I. Hydrogen and chlorine extrusions

J.C. Rayez, M.T. Rayez, P. Halvick, B. Duguay, R. Lesclaux, J.J. Dannenberg

Journal:

Chemical Physics

Year:

1987

Language:

english

File:

PDF, 1.04 MB

english, 1987

32

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

P. Halvick, J.C. Rayez, M.T. Rayez, B. Duguay

Journal:

Chemical Physics

Year:

1987

Language:

english

File:

PDF, 1.11 MB

english, 1987

33

A theoretical study of the decomposition of halogenated alkoxy radicals. II. Fluorine extrusion

J.C. Rayez, M.T. Rayez, P. Halvick, B. Duguay, J.J. Dannenberg

Journal:

Chemical Physics

Year:

1987

Language:

english

File:

PDF, 409 KB

english, 1987

34

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

35

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

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

Journal:

Chemical Physics

Year:

1992

Language:

english

File:

PDF, 882 KB

english, 1992

36

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

Ph. Halvick, D. Liotard, J.C. Rayez

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 949 KB

english, 1993

37

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

M. Oubal, S. Picaud, M.T. Rayez, J.C. Rayez

Journal:

Year:

2010

Language:

english

File:

PDF, 743 KB

english, 2010

38

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

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

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 294 KB

english, 2004

39

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

40

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

M. Oubal, G. Hantal, S. Picaud, P.N.M. Hoang, D. Liotard, M.T. Rayez, J.C. Rayez, E. Villenave

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 516 KB

english, 2011

41

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

42

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

L. Bonnet, P. Larrégaray, J.C. Rayez

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 156 KB

english, 2004

43

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

44

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

45

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

M.L. González-Martínez, W. Arbelo-González, J. Rubayo-Soneira, L. Bonnet, J.-C. Rayez

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 232 KB

english, 2008

46

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

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

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 951 KB

english, 2009

47

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

José C. Araujo da Silva, Jean-Paul Pillot, Marc Birot, Jean-Pierre Desvergne, Daniel Liotard, Jean-Claude Rayez, Marie-Thérèse Rayez

Journal:

Journal of Organometallic Chemistry

Year:

2008

Language:

english

File:

PDF, 407 KB

english, 2008

48

On the dynamics of H2 desorbing from a Pt(1 1 1) surface

A. Perrier, L. Bonnet, D.A. Liotard, J.-C. Rayez

Journal:

Surface Science

Year:

2005

Language:

english

File:

PDF, 641 KB

english, 2005

49

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

Mohamed Oubal, Sylvain Picaud, Marie-Thérèse Rayez, Jean-Claude Rayez

Journal:

Surface Science

Year:

2010

Language:

english

File:

PDF, 1003 KB

english, 2010

50

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

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