  | Locht, R., & Dehareng, D. (September 2023). Vacuum UV Photoabsorption Spectroscpic and Photoionization Mass Spectrometric Study of Geminal Dibromoethylene (1,1-Br2C2H2) in the 5-15 eV Range. Experiment and Theory. Journal of Quantitative Spectroscopy and Radiative Transfer, 305, 108626 pp12. doi:10.1016/j.jqsrt.2023.108626  Peer Reviewed verified by ORBi |
 | Locht, R., & Dehareng, D. (September 2023). The Vacuum UV Photoabsorption Spectrum of 1,1-Dibromo-2,2-Difluoroethylene (1,1-Br2C2F2) in the 5-15 eV Photon Energy Range. Combining Experimental and Theoretical Investigations. Journal of Quantitative Spectroscopy and Radiative Transfer, 306, 108640 pp10. doi:10.1016/j.jqsrt.2023.108640 Peer Reviewed verified by ORBi |
 | Locht, R., Dehareng, D., & Leyh, B. (2021). The Photoelectron Spectroscopy of Dichloroethylenes: the vicinal isomer Trans-1,2-HClC=CHCl. Quantum Chemical Calculations and Experiment. Journal of Electron Spectroscopy and Related Phenomena, 247, 147033. doi:10.1016/j.elspec.2020.147033 Peer Reviewed verified by ORBi |
  | Morsa, D., Defize, T., Dehareng, D., Jérôme, C., & De Pauw, E. (September 2014). Polymer topology revealed by ion mobility coupled with mass spectrometry. Analytical Chemistry, 86 (19), 9693–9700. doi:10.1021/ac502246g Peer Reviewed verified by ORBi |
 | Locht, R., Dehareng, D., & Leyh, B. (2014). The Threshold Photoelectron Spectrum of Geminal Chloro-Fluoro-ethene (1,1-C2H2FCl) isomer. Experiment and Theory. Journal of Physics : B Atomic Molecular and Optical Physics, 47 (8), 085101(9. doi:10.1088/0953-4075/47/8/085101 Peer Reviewed verified by ORBi |
 | Locht, R., Dehareng, D., & Leyh, B. (2014). The threshold photoelectron spectroscopy of the cis- and trans-1-chloro-2-fluoro-ethene isomers. An experimental and quantum chemical study. Journal of Physics : B Atomic Molecular and Optical Physics, 47 (17), 175101-175012. doi:10.1088/0953-4075/47/17/175101 Peer Reviewed verified by ORBi |
 | Locht, R., Dehareng, D., & Leyh, B. (2014). Vibronic Valence and Rydberg Transitions in Geminal Chloro-Fluoro-Ethene (1,1-C2H2FCl). A Spectroscopic and Quantum Chemical Investigation. Molecular Physics, 112 (11), 1520-1539. doi:10.1080/00268976.2013.842659 Peer Reviewed verified by ORBi |
 | Dehareng, D., & Dive, G. (2012). Quantum chemistry applied to the study of the beta-lactamases. In J.-M. Frère (Ed.), Beta-lactamases (pp. 315-340). New York, United States: Nova science publishers. Peer reviewed |
 | Locht, R., Dehareng, D., & Leyh, B. (2012). The Spectroscopy of the Geminal Ethylene difluoride (1,1-C2H2F2): HeI, threshold and Constant Ion State spectroscopies. Journal of Physics : B Atomic Molecular and Optical Physics, 45 (11), 115101. doi:10.1088/0953-4075/45/11/115101 Peer Reviewed verified by ORBi |
 | Feller, G., Dehareng, D., & Da Lage, J.-L. (2011). How to remain nonfolded and pliable: the linkers in modular alpha-amylases as a case study. FEBS Journal, 278, 2333-2340. doi:10.1111/j.1742-4658.2011.08154.x Peer Reviewed verified by ORBi |
Bebrone, C., Kupper, M. B., Dehareng, D., Frère, J.-M., Hoffmann, K., & Galleni, M. (2011). The CphAII protein from Aquifex aeolicus possesses a metal-dependent phosphodiesterase activity [Poster presentation]. 11th β-lactamase meeting, Leonessa, Italy. Peer reviewed |
 | Lassaux, P., Hamel, M., Gulea, M., Delbrück, H., Mercuri, P., Horsfall, L., Dehareng, D., Kupper, M., Frère, J.-M., Hoffmann, K., Galleni, M., & Bebrone, C. (2010). Mercaptophosphonate Compounds as Broad-Spectrum Inhibitors of the Metallo-β-lactamases. Journal of Medicinal Chemistry, 53, 4862–4876. doi:10.1021/jm100213c Peer Reviewed verified by ORBi |
 | Balbeur, D., Dehareng, D., & De Pauw, E. (2010). Identification of Fragmentation Channels of Dinucleotides Using Deuterium Labeling. Journal of the American Society for Mass Spectrometry, 21 (1), 23-33. doi:10.1016/j.jasms.2009.08.004 Peer Reviewed verified by ORBi |
 | Locht, R., Dehareng, D., Hottmann, K., Jochims, H.-W., Baumgärtel, H., & Leyh, B. (2010). The Photoionization Dynamics of Methyl Iodide (CH3I): a joint Photoelectron and Mass Spectrometric Investigation. Journal of Physics : B Atomic Molecular and Optical Physics, 43 (10), 105101. doi:10.1088/0953-4075/43/10/105101 Peer Reviewed verified by ORBi |
 | Locht, R., Leyh, B., Dehareng, D., Hottmann, K., & Baumgärtel, H. (2010). A Photoelectron Spectroscopic Investigation of Vinyl Fluoride (C2H3F). The HeI, Threshold and CIS Photoelectron Spectroscopy. Journal of Physics : B Atomic Molecular and Optical Physics, 43 (1), 015102(15. doi:10.1088/0953-4075/43/1/015102 Peer Reviewed verified by ORBi |
 | Locht, R., Leyh, B., Dehareng, D., Jochims, H.-W., & Baumgärtel, H. (25 August 2009). The Vacuum UV photoabsorption spectroscopy of Vinyl Fluoride (C2H3F): The vibrational fine structure and its analysis. Chemical Physics, 362 (3), 97-108. doi:10.1016/j.chemphys.2009.06.012 Peer Reviewed verified by ORBi |
 | Baurin, S., Vercheval, L., Bouillenne, F., Falzone, C., Brans, A., Jacquamet, L., Ferrer, J.-L., Sauvage, E., Dehareng, D., Frère, J.-M., Charlier, P., Galleni, M., & Kerff, F. (2009). Critical role of tryptophan 154 for the activity and stability of class D beta-lactamases. Biochemistry, 48 (47), 11252-63. doi:10.1021/bi901548c Peer Reviewed verified by ORBi |
 | Terrak, M., Sauvage, E., Derouaux, A., Dehareng, D., Bouhss, A., Breukink, E., Jeanjean, S., & Nguyen-Distèche, M. (2008). Importance of the conserved residues in the peptidoglycan glycosyltransferase module of the class A penicillin-binding protein 1b of Escherichia coli. Journal of Biological Chemistry, 283 (42), 28464-70. doi:10.1074/jbc.M803223200 Peer Reviewed verified by ORBi |
 | Chevigné, A., Barumandzadeh, R., Groslambert, S., Cloes, B., Dehareng, D., Filée, P., Marx, J.-C., Frère, J.-M., Matagne, A., Jacquet, A., & Galleni, M. (16 November 2007). Relationship between propeptide pH unfolding and inhibitory ability during ProDer p 1 activation mechanism. Journal of Molecular Biology, 374 (1), 170-185. doi:10.1016/j.jmb.2007.08.025 Peer Reviewed verified by ORBi |
 | Balbeur, D., Dehareng, D., & De Pauw, E. (October 2007). Conformationally driven gas-phase H/D exchange of dinucleotide negative ions. Journal of the American Society for Mass Spectrometry, 18 (10), 1827-1834. doi:10.1016/j.jasms.2007.07.014 Peer Reviewed verified by ORBi |
 | Dehareng, D., & Dive, G. (02 November 2006). Charge transfer study through the determination of the ionization energies of tetrapeptides X3-Tyr, X = Gly, Ala, or Leu. Influence of the inclusion of one glycine in alanine and leucine containing peptides. Journal of Physical Chemistry. A, 110 (43), 11975-11987. doi:10.1021/jp064255w Peer Reviewed verified by ORBi |
 | Cauët, E., Dehareng, D., & Lievin, J. (27 July 2006). Ab initio study of the ionization of the DNA bases: Ionization potentials and excited states of the cations. Journal of Physical Chemistry. A, 110 (29), 9200-9211. doi:10.1021/jp0617625 Peer Reviewed verified by ORBi |
 | Géron, C., Dive, G., & Dehareng, D. (28 February 2006). The Hartree-Fock triplet instability: influence of conformation and substitution. Journal of Molecular Structure: Theochem, 760 (1-3), 75-85. doi:10.1016/j.theochem.2005.11.023 Peer Reviewed verified by ORBi |
 | Locht, R., Leyh, B., Dehareng, D., Hottmann, K., Jochims, H.-W., & Baumgärtel, H. (2006). About the Photoionization of Methyl Bromide (CH3Br). Photoelectron and Photoionization Mass Spectrometric Investigation. Chemical Physics, 323, 458-472. doi:10.1016/j.chemphys.2005.10.006 Peer Reviewed verified by ORBi |
 | Moreira, P. R., Duez, C., Dehareng, D., Antunes, A., Almeida-Vara, E., Frère, J.-M., Malcata, F. X., & Duarte, J. C. (10 September 2005). Molecular characterisation of a versatile peroxidase from a Bjerkandera strain. Journal of Biotechnology, 118 (4), 339-352. doi:10.1016/j.jbiotec.2005.05.014 Peer Reviewed verified by ORBi |
 | Locht, R., Leyh, B., Dehareng, D., Jochims, H.-W., & Baumgärtel, H. (2005). The vacuum UV photoabsorption spectrum of methyl bromide (CH3Br) and its perdeuterated isotopomer CD3Br: a vibrational analysis. Chemical Physics, 317 (1), 87-102. doi:10.1016/j.chemphys.2005.06.008 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 |
 | Derouaux, A., Dehareng, D., Lecocq, E., Halici, S., Nothaft, H., Giannotta, F., Moutzourelis, G., Dusart, J., Devreese, B., Titgemeyer, F., Van Beeumen, J., & Rigali, S. (17 December 2004). Crp of Streptomyces Coelicolor Is the Third Transcription Factor of the Large Crp-Fnr Superfamily Able to Bind Camp. Biochemical and Biophysical Research Communications, 325 (3), 983-90. doi:10.1016/j.bbrc.2004.10.143 Peer reviewed |
 | Genereux, C., Dehareng, D., Devreese, B., Van Beeumen, J., Frère, J.-M., & Joris, B. (01 January 2004). Mutational analysis of the catalytic centre of the Citrobacter freundii AmpD N-acetylmuramyl-L-alanine amidase. Biochemical Journal, 377 (Pt 1), 111-120. doi:10.1042/BJ20030862 Peer Reviewed verified by ORBi |
 | Dehareng, D., & Dive, G. (2004). Vertical ionization energies of alpha-L-amino acids as a function of their conformation: an ab initio study. International Journal of Molecular Sciences, 5 (11-12, NOV-DEC), 301-332. doi:10.3390/i5110301 Peer Reviewed verified by ORBi |
 | Rhazi, N., Charlier, P., Dehareng, D., Engher, D., Vermeire, M., Frère, J.-M., Nguyen-Distèche, M., & Fonze, E. (18 March 2003). Catalytic mechanism of the Streptomyces K15 DD-transpeptidase/penicillin-binding protein probed by site-directed mutagenesis and structural analysis. Biochemistry, 42 (10), 2895-2906. doi:10.1021/bi027256x Peer Reviewed verified by ORBi |
 | Liepinsh, E., Genereux, C., Dehareng, D., Joris, B., & Otting, G. (2003). NMR structure of Citrobacter freundii AmpD, comparison with bacteriophage T7 lysozyme and homology with PGRP domains. Journal of Molecular Biology, 327 (4), 833-42. doi:10.1016/S0022-2836(03)00185-2 Peer Reviewed verified by ORBi |
 | Dehareng, D., Dive, G., & Geron, C. (2002). Hartree-Fock instabilities: Relation between an artifact and some properties. Recent Research Development in Chemical Physics, 3, 193-206. Peer reviewed |
 | Collette, C., Dehareng, D., De Pauw, E., & Dive, G. (March 2001). Qualitative Comparison between the Quantum Calculations and Electrospray Mass Spectra of Complexes of Polyammonium Macrotricyclic Ligands with Dicarboxylic Acids. Journal of the American Society for Mass Spectrometry, 12 (3), 304-16. doi:10.1016/S1044-0305(00)00228-2 Peer Reviewed verified by ORBi |
 | Locht, R., Leyh, B., Hoxha, A., Dehareng, D., Hottmann, K., Jochims, H.-W., & Baumgärtel, H. (2001). About the Photoionization of Methyl Chloride. A Threshold Photoelectron Spectroscopic and Photoionization Mass Spectrometric investigation. Chemical Physics, 272, 293-313. doi:10.1016/S0301-0104(01)00466-9 Peer Reviewed verified by ORBi |
 | Locht, R., Leyh, B., Hoxha, A., Dehareng, D., Jochims, H.-W., & Baumgärtel, H. (2001). The Vacuum UV Photoabsorption spectrum of Methyl Chloride (CH3Cl) and its perdeuterated Isotopomer CD3Cl. II. A vibrational Analysis. Chemical Physics, 272, 277-292. doi:10.1016/S0301-0104(01)00465-7 Peer Reviewed verified by ORBi |
 | Ye, H. F., Dive, G., Dehareng, D., Heymans, F., & Godfroid, J.-J. (2000). Structure-activity relationships on adrenoceptors and imidazoline-preferring binding sites (I(1,2)-PBSs). Part 1: Weak intramolecular H-bond and conformational flexibility in a new I1-PBS-selective imidazoline analogue, trans1-(4',5'-dihydro-1'H-imidazol-2'-yl)methyl-2-hydroxyindane (PMS 952). Bioorganic and Medicinal Chemistry, 8 (8), 1861-9. doi:10.1016/S0968-0896(00)00115-2 Peer Reviewed verified by ORBi |
 | Hoxha, A., Locht, R., Leyh, B., Dehareng, D., Hottmann, K., & Baumgärtel, H. (2000). Photoelectron Spectroscopy of Vinyl Bromide and Intramolecular Dynamics of the ionic B state. Chemical Physics, 256, 239-249. doi:10.1016/S0301-0104(00)00052-5 Peer Reviewed verified by ORBi |
 | Locht, R., Leyh, B., Hoxha, A., Dehareng, D., Jochims, H.-W., & Baumgärtel, H. (2000). About the Vacuum UV Photoabsorption Spectrum of Methyl Fluoride (CH3F): the fine structure and its vibrational analysis. Chemical Physics, 257, 283-299. doi:10.1016/S0301-0104(00)00167-1 Peer Reviewed verified by ORBi |
 | Hoxha, A., Locht, R., Leyh, B., Dehareng, D., Hottmann, K., Jochims, H.-W., & Baumgärtel, H. (2000). The photoabsorption and Constant Ion State Spectroscopy of Vinyl Bromide. Chemical Physics, 260, 237-247. doi:10.1016/S0301-0104(00)00191-9 Peer Reviewed verified by ORBi |
 | Ramquet, M.-N., Dive, G., & Dehareng, D. (2000). Critical points and reaction paths characterization on a potential energy hypersurface. Journal of Chemical Physics, 112 (11), 4923-4934. doi:10.1063/1.481046 Peer Reviewed verified by ORBi |
 | Dehareng, D., & Dive, G. (2000). Hartree-Fock instabilities and electronic properties. Journal of Computational Chemistry, 21 (6), 483-504. doi:10.1002/(SICI)1096-987X(20000430)21:6<483::AID-JCC7>3.0.CO;2-O Peer Reviewed verified by ORBi |
 | Dehareng, D., Dive, G., & Moradpour, A. (2000). Ab initio study of organic mixed valency. International Journal of Quantum Chemistry, 76 (4), 552-573. doi:10.1002/(SICI)1097-461X(2000)76:4<552::AID-QUA6>3.0.CO;2-N Peer Reviewed verified by ORBi |
Dive, G., & Dehareng, D. (1999). Serine peptidase catalytic machinery: Cooperative one-step mechanism. International Journal of Quantum Chemistry, 73 (2), 161-174. doi:10.1002/(SICI)1097-461X(1999)73:2<161::AID-QUA10>3.0.CO;2-E Peer Reviewed verified by ORBi |
 | Dive, G., Dehareng, D., & Ghosez, L. (1998). Catalytic reaction pathways approached by quantum chemistry: a challenge. Cellular and Molecular Life Sciences, 54 (4), 378-382. doi:10.1007/s000180050167 Peer Reviewed verified by ORBi |
Charlier, P., Coyette, J., Dehareng, D., Dive, G., Duez, C., Dusart, J., Fonzé, E., Fraipont, C., Frère, J.-M., Galleni, M., Goffin, C., Joris, B., Lamotte-Brasseur, J., & Nguyen-Distèche, M. (1998). Résistance bactérienne aux beta-lactamines. MS. Medecine Sciences, 14 (5), 544-555. doi:10.4267/10608/1092 Peer Reviewed verified by ORBi |
Dive, G., Dehareng, D., & Peeters, D. (1996). Proposition for the acylation mechanism of serine proteases: A one-step process? International Journal of Quantum Chemistry, 58 (1), 85-107. doi:10.1002/(SICI)1097-461X(1996)58:1<85::AID-QUA9>3.0.CO;2-U Peer Reviewed verified by ORBi |
Vancampenhout, N., Dive, G., & Dehareng, D. (1996). Energetic and conformational study of four benzylimidazole compounds with alpha 2 agonist profile: The mivazerol and three methylated derivatives. International Journal of Quantum Chemistry, 60 (4), 911-930. doi:10.1002/(SICI)1097-461X(1996)60:4<911::AID-QUA13>3.0.CO;2-7 Peer Reviewed verified by ORBi |
 | Lahlil, K., Moradpour, A., Bowlas, C., Menou, F., Cassoux, P., Bonvoisin, J., Launay, J.-P., Dive, G., & Dehareng, D. (1995). INTERVALENCE TRANSITIONS IN MIXED-VALENCE BIS(TETRATHIAFULVALENE) COMPOUNDS. Journal of the American Chemical Society, 117 (40), 9995-10002. doi:10.1021/ja00145a009 Peer Reviewed verified by ORBi |
 | Dive, G., Dehareng, D., & Ghuysen, J.-M. (1994). Detailed Study of a Molecule in a Molecule N-Acetyl-L-Tryptophanamide in a Active-Site Model of Alpha-Chymotrypsin. Journal of the American Chemical Society, 116 (6), 2548-2556. doi:10.1021/ja00085a039 Peer Reviewed verified by ORBi |
 | Gimbert, Y., Moradpour, A., Dive, G., Dehareng, D., & Lahlil, K. (1993). A VARIABLE MECHANISM FOR THE NUCLEOPHILIC VINYLIC SUBSTITUTIONS IN A SERIES OF GEM-DIHALOGENATED ALKENES BY A BIDENTATE SULFUR NUCLEOPHILE - AN EXPERIMENTAL AND AM1 THEORETICAL-STUDY. Journal of Organic Chemistry, 58 (17), 4685-4690. doi:10.1021/jo00069a035 Peer Reviewed verified by ORBi |
 | Dive, G., & Dehareng, D. (1993). Polarization correction of the electrostatic potential for aromatic-compounds - Study of the nucleophilic-attack. International Journal of Quantum Chemistry, 46 (1), 127-136. doi:10.1002/qua.560460113 Peer Reviewed verified by ORBi |
 | Dehareng, D., Dive, G., & Ghuysen, J.-M. (1993). Analytical calculation of the electrostatic interaction energy within the CNDO framework. International Journal of Quantum Chemistry, 46 (6), 711-734. doi:10.1002/qua.560460605 Peer Reviewed verified by ORBi |
 | Dehareng, D., Dive, G., & Ghuysen, J.-M. (1993). Polarization-corrected electrostatic potentials of aromatic compounds. Journal of the American Chemical Society, 115 (15), 6877-6882. doi:10.1021/ja00068a052 Peer Reviewed verified by ORBi |
 | Dive, G., Dehareng, D., & Ghuysen, J.-M. (1993). Energy Analysis on Small to Medium Sized H-Bonded Complexes. Theoretica Chimica Acta, 85 (6), 409-421. doi:10.1007/BF01112981 Peer reviewed |
 | Dive, G., Dehareng, D., Culot, P., & Ghuysen, J.-M. (1992). Energy hypersurface local properties of the O2HF-1 rearrangement. Chemical Physics Letters, 195 (2-3), 189-193. doi:10.1016/0009-2614(92)86134-4 Peer Reviewed verified by ORBi |
 | Dehareng, D., Dive, G., & Ghuysen, J.-M. (1992). Influence of the Counterpoise Correction on the Optimized Relativi Degrees of Freedom in the H-Bonded Complex Water-Formamide. Theoretica Chimica Acta, 81 (4-5), 281-290. doi:10.1007/BF01118568 Peer reviewed |
 | Dehareng, D., Dive, G., & Ghuysen, J.-M. (1991). Polarization correction to the electrostatic potential at the CNDO and the ab initio level. Influence of the basis set expansion. Theoretica Chimica Acta, 79 (2), 141-152. doi:10.1007/BF01127102 Peer reviewed |
 | Lamotte-Brasseur, J., Dive, G., Dehareng, D., & Ghuysen, J.-M. (24 July 1990). Electrostatic potential maps at the quantum chemistry level of the active sites of the serine peptidases, α-chymotrypsin and subtilisin. Journal of Theoretical Biology, 145 (2), 183-98. doi:10.1016/S0022-5193(05)80124-9 Peer Reviewed verified by ORBi |
 | Dehareng, D., Dive, G., Lamotte-Brasseur, J., & Ghuysen, J.-M. (1989). Numerical computation of the electrostatic interaction energy between methanol and the dyad water-imidazole. Theoretica Chimica Acta, 76 (2), 85-94. doi:10.1007/BF00532126 Peer reviewed |
 | Dehareng, D. (1988). SEMICLASSICAL WAVE PACKET DYNAMICS IN NONADIABATIC PROCESSES - THE CONICAL INTERSECTION BETWEEN THE X AND A STATES OF C2H4+. Chemical Physics, 120 (2), 261-271. doi:10.1016/0301-0104(88)87172-6 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 |
Lamotte, J., Dive, G., Dehareng, D., & Staiger, P. (1988). Molecular graphics software on a raster. Journal of Molecular Graphics, 6 (4), 221. doi:10.1016/S0263-7855(98)80033-7 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 |
 | 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 |
 | Dehareng, D. (1986). Intramolecular dynamics by photoelectron spectroscopy. III.Predissociation of the B 2B2 state of H2O+ and D2O+ by a semiclassical approach. Chemical Physics, 110, 375-389. doi:10.1016/0301-0104(86)87093-8 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 |
 | Dehareng, D. (1984). Calculation of autocorrelation functions for electronic spectra. Chemical Physics, 84, 393-401. doi:10.1016/0301-0104(84)85188-5 Peer Reviewed verified by ORBi |
 | Chapuisat, X., Nauts, A., & Dehareng, D. (25 February 1983). Adiabatic-to-diabatic electronic state transformation and curvilinear nuclear coordinates for molecular systems. Chemical Physics Letters, 95 (2), 139-143. doi:10.1016/0009-2614(83)85083-0 Peer Reviewed verified by ORBi |
 | 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 |
Chapuisat, X., & Dehareng, D. (1981). Quelques aspects théoriques du problème des demi-collisions. Nouveau Journal de Chimie, 5, 9-13. Peer reviewed |
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 |