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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
Lorquet, J.-C. (2009). Adiabatic invariance along the reaction coordinate. Journal of Chemical Physics, 130 (2), 024307. doi:10.1063/1.3026617 Peer Reviewed verified by ORBi |
Lorquet, J.-C. (2009). Adiabatic and diabatic invariants in ion-molecule reactions. Journal of Chemical Physics, 131 (24). doi:10.1063/1.3276446 Peer Reviewed verified by ORBi |
Lorquet, J.-C. (2008). Adiabatic decoupling of the reaction coordinate. International Journal of Quantum Chemistry, 108 (10), 1629-1636. doi:10.1002/qua.21563 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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). Peer reviewed |
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 |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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). |
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). |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer reviewed |
Remacle, F., Desouter, M., & Lorquet, J.-C. (1991). Quantum effects in competitive decay. Chemical Physics, 153, 201-217. Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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. Peer Reviewed verified by ORBi |
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. Peer Reviewed verified by ORBi |
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 Peer reviewed |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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. Peer Reviewed verified by ORBi |
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. |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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. Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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. Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |
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 Peer Reviewed verified by ORBi |