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Lorquet Jean-Claude

Relations académiques et scientifiques (Sciences)

Département de chimie (sciences) > Laboratoire de chimie physique théorique

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Main Referenced Co-authors
Leyh, Bernard  (19)
Desouter, Michèle  (15)
Julien, Andrée  (13)
Locht, Robert  (11)
Dehareng, Dominique  (10)
Main Referenced Keywords
Maximum entropy method (8); Reaction dynamics (8); Kinetic energy release (5); Phase space sampling (5); Transition state theory (5);
Main Referenced Unit & Research Centers
Laboratoire de Dynamique Moléculaire (15)
Laboratoire de dynamique Moléculaire (1)
Main Referenced Disciplines
Chemistry (61)
Physics (10)

Publications (total 63)

The most downloaded
251 downloads
Pavlov-Verevkin, V. B., Leyh, B., & Lorquet, J.-C. (1989). Couplings between Normal Modes studied by the Correlation Function. Duschinsky Effect and Fermi Resonance. Chemical Physics, 132, 175-183. doi:10.1016/0301-0104(89)80086-2 https://hdl.handle.net/2268/9403

The most cited

108 citations (OpenCitations)

Desouter-Lecomte, M., Dehareng, D., Leyh-Nihant, B., Praet, M.-T., Lorquet, A., & Lorquet, J.-C. (1985). Nonadiabatic Unimolecular Reactions of Polyatomic Molecules. Journal of Physical Chemistry, 89, 214-222. doi:10.1021/j100248a006 https://hdl.handle.net/2268/3994

Lorquet, J.-C. (2017). Crossing the dividing surface of transition state theory. IV. Dynamical regularity and dimensionality reduction as as key features of reactive trajectories. Journal of Chemical Physics, 146, 134310. doi:10.1063/1.4979567
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Lorquet, J.-C. (2015). Crossing the dividing surface of transition state theory. III. Once and only once. Selecting reactive trajectories. Journal of Chemical Physics, 143, 104314. doi:10.1063/1.4930273
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Lorquet, J.-C. (2014). Crossing the dividing surface of transition state theory. II. Recrossing times for the atom-diatom interaction. Journal of Chemical Physics, 140 (13), 134304. doi:10.1063/1.4870039
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Lorquet, J.-C. (2014). Erratum: Crossing the dividing surface of transition state theory. I. Underlying symmetries and motion coordination in multidimensional systems (J. Chem. Phys. 140 (2014) (134303)). Journal of Chemical Physics, 140 (16), 169902. doi:10.1063/1.4872156
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Lorquet, J.-C. (2014). Crossing the dividing surface of transition state theory. I. Underlying symmetries and motion coordination in multidimensional systems. Journal of Chemical Physics, 140 (13), 134303. doi:10.1063/1.4870038
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Lorquet, J.-C. (2011). Regular dynamics in transition states with flat saddles. Journal of Physical Chemistry. A, 115 (18), 4610-4615. doi:10.1021/jp2012304
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Lorquet, J.-C. (2009). Adiabatic invariance along the reaction coordinate. Journal of Chemical Physics, 130 (2), 024307. doi:10.1063/1.3026617
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Lorquet, J.-C. (2009). Adiabatic and diabatic invariants in ion-molecule reactions. Journal of Chemical Physics, 131 (24). doi:10.1063/1.3276446
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Gridelet, E., Locht, R., Lorquet, A., Lorquet, J.-C., & Leyh, B. (2008). The Role of Long-Range Forces in the Determination of Translational Kinetic Energy Release. Loss of C4H4+ from Benzene and Pyridine Cations. Journal of Physical Chemistry. A, 112, 10086-10095. doi:10.1021/jp8033424
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Lorquet, J.-C. (2008). Adiabatic decoupling of the reaction coordinate. International Journal of Quantum Chemistry, 108 (10), 1629-1636. doi:10.1002/qua.21563
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Lorquet, J.-C. (2007). Dynamical constraints and adiabatic invariants in chemical reactions. Journal of Physical Chemistry. A, 111 (33), 8050-8055. doi:10.1021/jp073001n
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Leyh, B., Gridelet, E., Locht, R., & Lorquet, J.-C. (2006). Analysis of kinetic energy release distributions by the maximum entropy method. International Journal of Mass Spectrometry, 249-250, 330-339. doi:10.1016/j.ijms.2005.12.005
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Gridelet, E., Lorquet, A., Locht, R., Lorquet, J.-C., & Leyh, B. (2006). Hydrogen atom loss from the benzene cation. Why is the kinetic energy release so large? Journal of Physical Chemistry. A, 110 (27), 8519-8527. doi:10.1021/jp056119h
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Pavlov-Verevkin, V. B., & Lorquet, J.-C. (2005). Exit-channel dynamics in barrierless unimolecular reactions: Criteria of vibrational adiabaticity. Journal of Chemical Physics, 123 (7), 074324. doi:10.1063/1.2006107
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Gridelet, E., Dehareng, D., Locht, R., Lorquet, A., Lorquet, J.-C., & Leyh, B. (2005). Ground and Excited State Dissociation Dynamics of Ionized 1,1-Difluoroethene. Journal of Physical Chemistry. A, 109 (37), 8225-8235. doi:10.1021/jp051542b
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Gridelet, E., Lorquet, J.-C., & Leyh, B. (2005). Role of angular momentum conservation in unimolecular translational energy release: Validity of the orbiting transition state theory. Journal of Chemical Physics, 122 (9), 94106. doi:10.1063/1.1856917
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Fati, D., Lorquet, A., Locht, R., Lorquet, J.-C., & Leyh, B. (2004). Kinetic Energy Release Distributions for Tropylium and Benzylium Ion Formation from the Toluene Cation. Journal of Physical Chemistry. A, 108, 9777-9786. doi:10.1021/jp048058d
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Gridelet, E., Locht, R., Lorquet, A., Lorquet, J.-C., & Leyh, B. (2003). How ergodic is the fragmentation of the pyridine cation? A maximum entropy analysis. International Journal of Mass Spectrometry, 228 (2-3), 389-402. doi:10.1016/S1387-3806(03)00132-5
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Gridelet, E., Locht, R., Lorquet, A., Lorquet, J.-C., & Leyh, B. (2003). How ergodic is the Fragmentation of the Pyridine Cation ? A Maximum Entropy Ananlysis. In J. Anton, H. Cederquist, M. Larsson, E. Lindroth, S. Mannervik, H. Schmidt, ... R. Schuch, 23rd International Conference on the Photonic, Electronic and Atomic Collisions: Book of Abstracts (pp. 011).
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Gridelet, E., Lorquet, J.-C., Locht, R., & Leyh, B. (2003). Unimolecular Dissociation of Halogenobenzene Cations by Phase space Theory. In J. Anton, H. Cedrequist, M. Larsson, E. Lindroth, S. Mannervik, H. Schmidt, ... R. Schuch, 23rd International Conference on Photonic, Electronic and Atomic Collisions: Book of Abstracts (pp. 026).
Peer reviewed

Pavlov-Verevkin, V. B., & Lorquet, J.-C. (2002). Intramolecular vibrational relaxation seen as expansion in phase space. 4. Generic relaxation laws for a spectroscopic clump profile. Journal of Physical Chemistry. A, 106 (29), 6694-6701. doi:10.1021/jp0202237
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Lorquet, J.-C., & Lorquet, A. (2001). Unimolecular reaction dynamics from kinetic energy release distributions. 8. Protonated fluorobenzene and structure of the phenyl ion. Journal of Physical Chemistry. A, 105 (15), 3719-3724. doi:10.1021/jp004143j
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Leyh, B., Lorquet, A., Lorquet, J.-C., & Locht, R. (2000). Dissociation of Difluoroetylene Cations: an ion-neutral complex along the fluoroethylidene+ + HF reaction path. In E. Gelpi, 15th International Mass Spectrometry Conference: Book of Abstracts (pp. 247).

Hoxha, A., Locht, R., Lorquet, A., Lorquet, J.-C., & Leyh, B. (2000). Unimolecular Reaction Dynamics from Kinetic Energy Release Distributions: extent of Phase Space Sampling. In E. Gelpi, 15th International Mass Spectrometry Conference: Book of Abstracts (pp. 242).

Lorquet, J.-C. (2000). Unimolecular reaction dynamics from kinetic energy release distributions. VI. Energy-selected ions. International Journal of Mass Spectrometry, 201 (1-3), 59-67. doi:10.1016/S1387-3806(00)00219-0
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Lorquet, J.-C. (2000). Landmarks in the theory of mass spectra. International Journal of Mass Spectrometry, 200 (1-3), 43-56. doi:10.1016/S1387-3806(00)00303-1
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Hoxha, A., Locht, R., Lorquet, A., Lorquet, J.-C., & Leyh, B. (1999). Unimolecular Dynamics from Kinetic Energy Release Distributions. V. How does the Efficiency of Phase Space Sampling vary with Internal Energy? Journal of Chemical Physics, 111 (20), 9259-9266. doi:10.1063/1.479840
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Urbain, P., Leyh, B., Remacle, F., LORQUET, A., Flammang, R., & Lorquet, J.-C. (1999). Unimolecular reaction dynamics from kinetic energy release distributions. III. A comparative study of the halogenobenzene cations. Journal of Chemical Physics, 110 (2-12), 2911-2921. doi:10.1063/1.477934
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Pavlov-Verevkin, V. B., & Lorquet, J.-C. (1997). Intramolecular vibrational relaxation seen as expansion in phase space. III. The long-time limit. Journal of Chemical Physics, 107 (17), 6677-6680. doi:10.1063/1.474910
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Pavlov-Verevkin, V. B., & Lorquet, J.-C. (1996). Intramolecular vibrational relaxation seen as expansion in phase space. II. Reference ergodic systems. Journal of Chemical Physics, 104 (4), 1362-1369. doi:10.1063/1.470793
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Urbain, P., Remacle, F., Leyh, B., & Lorquet, J.-C. (1996). Unimolecular Reaction Dynamics from Kinetic Energy Release Distributions. 2. A Study of the Reaction C6H5Br+->C6H5++Br by the Maximum Entropy Method. Journal of Physical Chemistry, 100 (19), 8003-8007. doi:10.1021/jp953069f
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Remacle, F., Lorquet, J.-C., & Levine, R. D. (1993). Unimolecular dissociation of selectively excited polyatomic molecules. Chemical Physics Letters, 209 (4), 315-324. doi:10.1016/0009-2614(93)80024-J
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Lorquet, J.-C., & Leyh, B. (1993). Unimolecular reaction dynamics from Kinetic Energy Release Distributions. 1 - Dissociation of Bromobenzene Ions. Organic Mass Spectrometry, 28, 1225-1228. doi:10.1002/oms.1210281038
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Remacle, F., Desouter, M., & Lorquet, J.-C. (1991). Quantum effects in competitive decay. Chemical Physics, 153, 201-217.
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Remacle, F., Desouter-Lecomte, M., & Lorquet, J.-C. (1991). Quantum effects in competitive unimolecular reactions. Chemical Physics, 153 (1-2), 201-217. doi:10.1016/0301-0104(91)90019-P
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Lorquet, J.-C., & Pavlov-Verevkin, V. B. (1990). Intramolecular vibrational energy relaxation seen as expansion in phase space. I. Some experimental results for H2O+(X̃ 2B1), C2H4 +(X̃ 2B3), and HCN+(B̃2Σ +). Journal of Chemical Physics, 93, 520-533. doi:10.1063/1.459552
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Remacle, F., Desouter, M., & Lorquet, J.-C. (1989). Extracting laws of decay in the femto-picosecond range from autocorrelation functions. Journal of Chemical Physics, 91, 4155-4168. doi:10.1063/1.456793
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Pavlov-Verevkin, V. B., Leyh, B., & Lorquet, J.-C. (1989). Couplings between Normal Modes studied by the Correlation Function. Duschinsky Effect and Fermi Resonance. Chemical Physics, 132, 175-183. doi:10.1016/0301-0104(89)80086-2
Peer Reviewed verified by ORBi

Remacle, F., Dehareng, D., & Lorquet, J.-C. (1988). NONADIABATIC UNIMOLECULAR REACTIONS .2. ISOTOPE EFFECTS ON THE KINETIC-ENERGY RELEASE. Journal of Physical Chemistry, 92 (16), 4784-4787. doi:10.1021/j100327a044
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Leyh-Nihant, B., & Lorquet, J.-C. (1988). Nonadiabatic unimolecular reactions. III. Dissociation mechanisms of methylnitrite and deuterated methylnitrite ions. Journal of Chemical Physics, 88 (9), 5606-5619. doi:10.1063/1.454571
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Desouter-Lecomte, M., Dehareng, D., & Lorquet, J.-C. (01 February 1987). Constructing approximatively diabatic states from LCAO-SCF-CI calculations. Journal of Chemical Physics, 86 (3), 1429-1436.
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Desouter, M., Leyh-Nihant, B., Praet, M.-T., & Lorquet, J.-C. (1987). Avoided crossings: a study of the non-adiabatic transition probability. Journal of Chemical Physics, 86, 7025-7034.
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Remacle, F., Petitjean, S., Dehareng, D., & Lorquet, J.-C. (1987). AN ABINITIO STUDY OF THE ISOMERIZATION AND FRAGMENTATION OF CHO2+ IONS - AN EXAMPLE OF SPIN-CONTROLLED REACTIONS. International Journal of Mass Spectrometry and Ion Processes, 77 (2-3), 187-201. doi:10.1016/0168-1176(87)87007-6
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Desouter, M., Pavlov-Verkin, V., Praet, M.-T., Calvo, C., & Lorquet, J.-C. (1987). Statistical approximations in the study of wave packet dynamics for non-adiabatic intramolecular processes induced by a coherent excitation. Molecular Physics, 61 (4), 981-997. doi:10.1080/00268978700101601
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Petitjean, S., Dehareng, D., Praet, M.-T., & Lorquet, J.-C. (1985). The isomerization and fragmentation of the CHO2+ ions: an example of spin-controlled chemistry? Advances in Mass Spectrometry, X (B), 1129-1130.
Peer reviewed

Desouter-Lecomte, M., Dehareng, D., Leyh-Nihant, B., Praet, M.-T., Lorquet, A., & Lorquet, J.-C. (1985). Nonadiabatic Unimolecular Reactions of Polyatomic Molecules. Journal of Physical Chemistry, 89, 214-222. doi:10.1021/j100248a006
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Lorquet, J.-C., & Leyh, B. (1984). Potential Energy Surfaces and Theory of Unimolecular Dissociation. In M. A. Almoster Ferreira, Ionic Processes in the Gas Phase (pp. 1-6). Riedel Publ.Co.

Barbier, C., Galloy, C., & Lorquet, J.-C. (1984). Unimolecular Decay Paths of Electronically Excited Species. V. The A2B1 State of H2CO+. Journal of Chemical Physics, 81, 2975-2980.
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Dehareng, D., Chapuisat, X., Lorquet, J.-C., Galloy, C., & Raseev, G. (01 February 1983). Dynamical study of non adiabatic unimolecular reactions: The conical intersection between the B 2B2 and à 2A1 states of H2O+. Journal of Chemical Physics, 78 (3), 1246-1264. doi:10.1063/1.444862
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Dehareng, D., Leyh, B., Desouter-Lecomte, M., Lorquet, J.-C., Delwiche, J., & Hubin-Franskin, M.-J. (1983). Intramolecular dynamics by photoelectron spectroscopy. II. Nonadiabatic processes. Journal of Chemical Physics, 79 (8), 3719-3724. doi:10.1063/1.446292
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Lorquet, J.-C., Lorquet, A., Dehareng, D., & Leyh, B. (1983). Intramolecular Dynamics of Molecular Ions. Bulletin de la Société Chimique Belge, 92 (6/7), 609-611.
Peer reviewed

Desouter, M., Sannen, C., & Lorquet, J.-C. (1983). A transition state theory of non-adiabatic unimolecular reactions controlled by a conical intersection. Journal of Chemical Physics, 79, 894-904.
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Lorquet, A., Lorquet, J.-C., Delwiche, J., & Hubin-Franskin, M.-J. (1982). Intramolecular dynamics by photoelectron spectroscopy. I. Application to N2 +, HBr+, and HCN+. Journal of Chemical Physics, 76, 4692-4699. doi:10.1063/1.442785
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Lorquet, J.-C., Dehareng, D., Sannen, C., & Raseev, G. (1980). Potential energy surfaces and dissociation mechanisms of molecular ions. Journal de Chimie Physique, 77, 719-724.
Peer reviewed

Desouter, M., Galloy, C., Lorquet, J.-C., & Vaz Pires, J. (1979). Non-adiabatic interactions in unimolecular decay. V. Conical and Jahn-Teller intersections. Journal of Chemical Physics, 71, 3661-3672. doi:10.1063/1.438810
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Desouter, M., & Lorquet, J.-C. (1979). Non-adiabatic interactions in unimolecular decay. IV. Transition probability as a function of the Massey parameter. Journal of Chemical Physics, 71, 4391-4403. doi:10.1063/1.438244
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Galloy, C., & Lorquet, J.-C. (1978). Excited states of gaseous ions. VI. Potential energy surfaces of CH2+. Chemical Physics, 30 (2), 169-176. doi:10.1016/0301-0104(78)85117-9
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Desouter, M., & Lorquet, J.-C. (1977). Non-adiabatic interactions in unimolecular decay. II. Simplified formalism. Journal of Chemical Physics, 66, 4006-4017. doi:10.1063/1.434454
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Desouter, M., Leclerc, J.-C., & Lorquet, J.-C. (1975). Non-adiabatic interactions in unimolecular decay. I. Chemical Physics, 9, 147-156. doi:10.1016/0301-0104(75)80124-8
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Lorquet, J.-C., & Desouter, M. (1972). Excited states of gaseous ions. Transitions to and predissociation of the C2Σ+ u state of N2+. Chemical Physics Letters, 16 (1), 136-140. doi:10.1016/0009-2614(72)80475-5
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Lorquet, J.-C., & Desouter, M. (1972). Excited states of gaseous ions. Transition to and predissociation of the C2 sigma U+ state of N2+. Chemical Physics Letters, 16, 136-140.
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Lorquet, J.-C., Elkomoss, S. G., & Magee, J. L. (1962). Energy-transfer phenomena and dissociation processes in electronically excited molecules. Journal of Chemical Physics, 37 (9), 1991-2000. doi:10.1063/1.1733417
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Lorquet, J.-C. (1960). Ionization potential of ammonia-some implications concerning Koopman's theorem. Reviews of Modern Physics, 32 (2), 312. doi:10.1103/RevModPhys.32.312
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