Badri A., Beydoun A., Lozada Garcia R., Leite S.D., Le T.N., Al Sahmarani M., Desfrançois C., Grégoire G., Lecomte F., Manil B., Nieuwjaer N.
Biomolecular ions generated by infrared laser desorption on microdroplets under vacuum.
Review of Scienrific Instruments, 2025, 96, 065206.
https://doi.org/10.1063/5.0248947

Nieuwjaer N., Beydoun A., Lecomte F., Manil B., Scuderi D., Desfrançois D.
Ligand-protected gold nanoclusters probed by IRMPD spectroscopy and quantum chemistry calculations.
Journal of molecular spectroscopy, 2022, 383, 111562.

Nieuwjaer N., Beydoun A., Lecomte F., Manil B., Cappelluti F., Guidoni L., Scuderi D., Desfrançois D.
IRMPD spectroscopy and quantum chemistry calculations on mono- and bi-metallic complexes of acetylacetonate ligands with aluminum, iron, and ruthenium ions.
The Journal of Chemical Physics, 2020, 153, 234303.

Ada Bibang P., Agnihotri A., Augé B., Boduch P., Desfrançois C., Domaracka A., Lecomte F., Manil B., Martinez R., Muniz G., Nieuwjaer N., Rothard H.
Ion radiation in icy space environments : synthesis and radioresistance of complex organic molecules.
Journal of Low Temperature Physics, 2019, 45, 590-597.

Nieuwjaer N., Desfrançois C., Lecomte F., Manil B., Soorkia S., Broquier M., Grégoire G.
Photodissociation spectroscopy of cold protonated synephrine : surprising differences between IR-UV Hole-Burning and IR photodissociation spectroscopy of the O-H and N-H modes.
Journal of Physical Chemistry A, 2018, 122, 15, 3798-3804.

Lozada Garcia R., Nieuwjaer N., Desfrançois C., Lecomte F., Leite S.D., Manil B., Broquier M., Grégoire G.
Vibronic spectra of protonated hydroxypyridines : contributions of prefulvenic and planar structures.
Physical Chemistry Chemical Physics, 2017, 19, 8258-8268.

Le T.-N., Poully J.C., Lecomte F., Nieuwjaer N., Manil B., Desfrançois C., Chirot F., Lemoine J., Dugourg P., van der Rest G., Grégoire G.
Gas-phase structure of amyloid-? (12-28) peptide investigated by infrared spectroscopy, electron capture dissociation and ion mobility mass spectrometry.
Journal of The American Society for Mass Spectrometry, 2013, 24, 12 1937-1949.

Seitz, F., A.I.S. Holm, H. Zettergren, H.A.B. Johansson, S. Rosen, H.T. Schmidt, A. Lawicki, J. Rangama, P. Rousseau, M. Capron, R. Maisonny, A. Domaracka, L. Adoui, A. Mery, B. Manil, B.A. Huber, and H. Cederquist,
Polycyclic aromatic hydrocarbon-isomer fragmentation pathways: case study for pyrene and fluoranthene molecules and clusters.
The Journal of chemical physics, 2011. 135(6): p.064302.

Poully, J.C., G. Gregoire, R. Ballivian, P. Dugourd, and J.P. Schermann,
Coupling infrared multiphoton dissociation spectroscopy, mass-spectrometry and ion mobility spectrometry for the determination of structures of angiotensin II cations.
Vibrational Spectroscopy, 2011.56: p. 105-109.

Mahjoub, A., M. Hochlaf, L. Poisson, N. Nieuwjaer, F. Lecomte, J.P. Schermann, G. Gregoire, B. Manil, G.A. Garcia, and L. Nahon,
Slow Photoelectron Spectroscopy of ?-Valerolactam and Its Dimer.
Chemphyschem, 2011. 12(10): p. 1822-1832.

Maclot, S., M. Capron, R. Maisonny, A. Lawicki, A. Mery, J. Rangama, J.-Y. Chesnel, S. Bari, R. Hoekstra, T. Schlatholter, B. Manil, L. Adoui, P. Rousseau, and B.A. Huber,
Ion-Induced Fragmentation of Amino Acids: Effect of the Environment.
Chemphyschem, 2011. 12(5): p. 930-936.

Lawicki, A., A.I.S. Holm, P. Rousseau, M. Capron, R. Maisonny, S. Maclot, F. Seitz, H.A.B. Johansson, S. Rosen, H.T. Schmidt, H. Zettergren, B. Manil, L. Adoui, H. Cederquist, and B.A. Huber,
Multiple ionization and fragmentation of isolated pyrene and coronene molecules in collision with ions.
Physical Review A, 2011. 83(2): p. 022704.

Kim, S.K., T. Ha, and J.-P. Schermann,
Editorial of the PCCP themed issue.font>
Physical Chemistry Chemical Physics, 2011. 13(3): p. 804-805.

Kim, S.K., T. Ha, and J.-P. Schermann,
Editorial on nanobiology.
Physical Chemistry Chemical Physics, 2011. 13(21): p. 9916-9917.

Kim, J., S.K. Kim, G. Gregoire, B. Manil, and J.P. Schermann,
Infrared Study of the Bacterial Autoinducer N-HexanoylHomoserine Lactone (C6-HSL) in the Gas-Phase, Water, and Octanol Solutions.
Journal of Physical Chemistry A, 2011. 115(33): p. 9199-9206.

Johansson, H.A.B., H. Zettergren, A.I.S. Holm, F. Seitz, H.T. Schmidt, P. Rousseau, A. Lawicki, M. Capron, A. Domaracka, E. Lattouf, S. Maclot, R. Maisonny, B. Manil, J.Y. Chesnel, L. Adoui, B.A. Huber, and H. Cederquist,
Ionization and fragmentation of polycyclic aromatic hydrocarbon clusters in collisions with keV ions.
Physical Review A, 2011. 84(4): p. 043201.

Bouteiller, Y., J.C. Poully, and G. Gregoire,
Evaluation of >polarizable continuum model for the prediction of vibrational frequencies of biomimetic molecules in solution.
Computational and Theoretical Chemistry, 2011. 966(1-3): p. 220-224.

Atkinson, A.P., A. Planchat, J. Graton, E. Renault, G. Gregoire, and J.Y. Le Questel,
Structural features and protonation site of epibatidine in the gas phase: an investigation through infrared multiphoton dissociation spectroscopy and computational chemistry.
Physical Chemistry Chemical Physics, 2011. 13, p. 2272-2277.

Zettergren, H., H.A.B. Johansson, H.T. Schmidt, J. Jensen, P. Hvelplund, S. Tomita, Y. Wang, F. Martin, M. Alcami, B. Manil, L. Maunoury, B.A. Huber, and H. Cederquist,
Magic and hot giant fullerenes formed inside ion irradiated weakly bound C(60) clusters.
Journal of Chemical Physics, 2010. 133(10): p. 104301.

Rosu, F., V. Gabelica, L. Joly, G. Gregoire, and E. De Pauw,
Zwitterionic i-motif structures are preserved in DNA negatively charged ions produced by electrospray mass spectrometry.
Physical Chemistry Chemical Physics, 2010. 12(41): p. 13448-13454.

Poully, J.C., J.P. Schermann, N. Nieuwjaer, F. Lecomte, G. Gregoire, C. Desfrancois, G.A. Garcia, L. Nahon, D. Nandi, L. Poisson, and M. Hochlaf,
Photoionization of 2-pyridone and 2-hydroxypyridine.
Physical Chemistry Chemical Physics, 2010. 12(14): p. 3566-3572.

Poully, J.C., F. Lecomte, N. Nieuwjaer, B. Manil, J.P. Schermann, C. Desfrancois, F. Calvo, and G. Gregoire,
Probing the specific interactions and structures of gas-phase vancomycin antibiotics with cell-wall precursor through IRMPD spectroscopy.
Physical Chemistry Chemical Physics, 2010. 12(14): p. 3606-3615.

Poully, J.C., F. Lecomte, N. Nieuwjaer, B. Manil, J.P. Schermann, C. Desfrancois, G. Gregoire, R. Ballivian, F. Chirot, J. Lemoine, F. Calvo, R. Antoine, and P. Dugourd,
Combining ion mobility mass spectrometry and infrared multiphoton dissociation spectroscopy to probe the structure of gas-phase vancomycin-Ac(2)(L)K(D)A(D)A non-covalent complex.
International Journal of Mass Spectrometry, 2010. 297(1-3): p. 28-35.

Li, X., H. Wang, K.H. Bowen, A. Martinez, J.-Y. Salpin, and J.-P. Schermann,
Negative ion photoelectron spectroscopy of the copper-aspartic acid anion and its hydrated complexes.
Journal of Chemical Physics, 2010. 133(8): p. 084303.

Kim, S.K., T. Ha, and J.-P. Schermann,
Biomolecular structures: from isolated molecules to the cell crowded medium.
Physical Chemistry Chemical Physics, 2010. 12(14): p. 3334-3335.

Kim, S.K., T. Ha, and J.-P. Schermann,
Advances in mass spectrometry for biological science.
Physical Chemistry Chemical Physics, 2010. 12(41): p. 13366-13367.

Kim, S.K., T. Ha, and J.-P. Schermann,
Water in biological systems.
Physical Chemistry Chemical Physics, 2010. 12(35): p. 10145-10146.

Kim, J.-Y., J.P. Schermann, and S. Lee,
Structure and Stability of ?-Aminobutyric acid-(H₂O)_n (n=0-5) Clusters: Zwitterionic vs. Canonical forms.
Bulletin of the Korean Chemical Society, 2010. 31(1): p. 59-63.

Holm, A.I.S., H. Zettergren, H.A.B. Johansson, F. Seitz, S. Rosen, H.T. Schmidt, A. Lawicki, J. Rangama, P. Rousseau, M. Capron, R. Maisonny, L. Adoui, A. Mery, B. Manil, B.A. Huber, and H. Cederquist,
Ions Colliding with Cold Polycyclic Aromatic Hydrocarbon Clusters.
Physical Review Letters, 2010. 105(21): p. 213401.

Gaigeot, M.-P., A. Cimas, M. Seydou, J.-Y. Kim, S. Lee, and J.-P.Schermann,
Proton Transfer from the Inactive Gas-Phase Nicotine Structure to the Bioactive Aqueous-Phase Structure.
Journal of the American Chemical Society, 2010. 132(51): p. 18067-18077.

Zettergren, H., L. Adoui, V. Bernigaud, H. Cederquist, N. Haag, A.I.S. Holm, B.A. Huber, P. Hvelplund, H. Johansson, U. Kadhane, M.K. Larsen, B. Liu, B. Manil, S.B. Nielsen, S. Panja, J. Rangama, P. Reinhed, H.T. Schmidt, and K. Stochkel,
Electron-Capture-Induced Dissociation of Microsolvated Di- and Tripeptide Monocations: Elucidation of Fragmentation Channels from Measurements of Negative Ions.
Chemphyschem, 2009. 10(9-10): p. 1619-1623.

Poully, J.C., G. Gregoire, and J.P. Schermann,
Evaluation of the ONIOM Method for Interpretation of Infrared Spectra of Gas-Phase Molecules of Biological Interest.
Journal of Physical Chemistry A, 2009. 113(28): p. 8020-8026.

Li, X., H.P. Wang, K.H. Bowen, G. Gregoire, F. Lecomte, J.P. Schermann, and C. Desfrancois,
The parent anion of the RGD tripeptide: Photoelectron spectroscopy and quantum chemistry calculations.
Journal of Chemical Physics, 2009. 130(21).

Ko, Y.J., H.P. Wang, X. Li, K.H. Bowen, F. Lecomte, C. Desfrancois, J.C. Poully, G. Gregoire, and J.P. Schermann,
Intrinsic Neutral and Anionic Structures of Glutathione.
Chemphyschem, 2009. 10(17): p. 3097-3100.

Gregoire, G., B. Lucas, M. Barat, J.A. Fayeton, C. Dedonder-Lardeux, and C. Jouvet,
UV photoinduced dynamics in protonated aromatic amino acid.
European Physical Journal D, 2009. 51(1): p. 109-116.

Bouteiller, Y., J.C. Poully, C. Desfrancois, and G. Gregoire,
Evaluation of MP2, DFT, and DFT-D Methods for the Prediction of Infrared Spectra of Peptides.
Journal of Physical Chemistry A, 2009. 113(22): p. 6301-6307.

Seydou, M., G. Gregoire, J. Liquier, J. Lemaire, J.P. Schermann, and C. Desfrancois,
Experimental observation of the transition between gas-phase and aqueous solution structures for acetylcholine, nicotine, and muscarine ions.
Journal of the American Chemical Society, 2008. 130(12): p. 4187-4195.

Poully, J.C., N. Nieuwjaer, and J.P. Schermann,
Structure and dynamics of molecules of pharmaceutical interest in gas phase and in aqueous phase.
Physica Scripta, 2008. 78(5): p. 058123.

Mihesan, C., M. Ziskind, C. Focsa, M. Seydou, F. Lecomte, and J.P. Schermann,
Structure of neat and hydrated liquid nicotine and laser resonant desorption of clusters from nicotine-water solutions.
International Journal of Mass Spectrometry, 2008. 277(1-3): p. 284-290.

Lucas, B., M. Barat, J.A. Fayeton, M. Perot, C. Jouvet, G. Gregoire, and S.B. Nielsen,
Mechanisms of photoinduced C-alpha-C-beta bond breakage in protonated aromatic amino acids.
Journal of Chemical Physics, 2008. 128(16).

Lucas, B., M. Barat, J.A. Fayeton, C. Jouvet, P. Carcabal, and G. Gregoire,
Statistical versus non-statistical photo-fragmentation of protonated GWG tri-peptide induced by UV excitation.
Chemical Physics, 2008. 347(1-3): p. 324-330.

Gabelica, V., F. Rosu, E. De Pauw, J. Lemaire, J.C. Gillet, J.C. Poully, F. Lecomte, G. Gregoire, J.P. Schermann, and C. Desfrancois,
Infrared signature of DNA G-quadruplexes in the gas phase.
Journal of the American Chemical Society, 2008. 130(6): p. 1810.

Bouteiller, Y., J.C. Gillet, G. Gregoire, and J.P. Schermann,
Transferable Specific Scaling Factors for Interpretation of Infrared Spectra of Biomolecules from Density Functional Theory.
Journal of Physical Chemistry A, 2008. 112(46): p. 11656-11660.

Seydou, M., J.C. Gillet, X. Li, H. Wang, G.H. Posner, G. Gregoire, J.P. Schermann, K.H. Bowen, and C. Desfrancois,
Studies of protonated and anionic artemisinin in the gas-phase by infrared multi-photon dissociation and by negative ion photoelectron spectroscopies.
Chemical Physics Letters, 2007. 449(4-6): p. 286-290.

Lepere, V., B. Lucas, M. Barat, J.A. Fayeton, V.J. Picard, C. Jouvet, P. Carcabal, I. Nielsen, C. Dedonder-Lardeux, G. Gregoire, and A. Fujii,
Comprehensive characterization of the photodissociation pathways of protonated tryptophan.
Journal of Chemical Physics, 2007.127(13).

Lepere, V., B. Lucas, M. Barat, J.A. Fayeton, Y.J. Picard, C. Jouvet, P. Carcabal, I. Nielsen, C. Dedonder-Lardeux, G. Gregoire, and A. Fujii,
Characterization of neutral fragments issued from the photodissociation of protonated tryptophane.
Physical Chemistry Chemical Physics, 2007. 9(39): p. 5330-5334.

Gregoire, G., C. Dedonder-Lardeux, C. Jouvet, C. Desfrancois, and J.A. Fayeton,
Ultrafast excited state dynamics in protonated GWG and GYG tripeptides.
Physical Chemistry Chemical Physics, 2007. 9(1): p. 78-82.

Gregoire, G., M.P. Gaigeot, D.C. Marinica, J. Lemaire, J.P. Schermann, and C. Desfrancois,
Resonant infrared multiphoton dissociation spectroscopy of gas-phase protonated peptides. Experiments and Car-Parrinello dynamics at 300 K.
Physical Chemistry Chemical Physics, 2007. 9(24): p. 3082-3097.

Gregoire, G., C. Jouvet, C. Dedonder, and A.L. Sobolewski,
Ab initio study of the excited-state deactivation pathways of protonated tryptophan and tyrosine.
Journal of the American Chemical Society, 2007. 129(19): p. 6223-6231.

Marinica, D.C., G. Gregoire, C. Desfrancois, J.P. Schermann, D. Borgis, and M.P. Gaigeot,
Ab initio molecular dynamics of protonated dialanine and comparison to infrared multiphoton dissociation experiments.
Journal of Physical Chemistry A, 2006. 110(28): p. 8802-8810.

Gregoire, G., H. Kang, C. Dedonder-Lardeux, C. Jouvet, C. Desfrancois, D. Onidas, V. Lepere, and J.A. Fayeton,
Statistical vs. non-statistical deactivation pathways in the UV photo-fragmentation of protonated tryptophan-leucine dipeptide.
Physical Chemistry Chemical Physics, 2006. 8(1): p. 122-128.

Gregoire, G., C. Jouvet, C. Dedonder, and A.L. Sobolewski,
On the role of dissociative pi sigma* states in the photochemistry of protonated tryptamine and tryptophan: An ab initio study.
Chemical Physics, 2006. 324(2-3): p. 398-404.

Antoine, R., M. Broyer, J. Chamot-Rooke, C. Dedonder, C. Desfrancois, P. Dugourd, G. Gregoire, C. Jouvet, D. Onidas, P. Poulain, T. Tabarin, and G. van der Rest,
Comparison of the fragmentation pattern induced by collisions, laser excitation and electron capture. Influence of the initial excitation.
Rapid Communications in Mass Spectrometry, 2006. 20(11): p. 1648-1652.

Seydou, M., A. Modelli, B. Lucas, K. Konate, C. Desfrancois, and J.P. Schermann,
Electron attachment to strongly polar clusters - Formamide molecule and clusters.
European Physical Journal D, 2005. 35(2): p. 199-205.

Lucas, B., G. Gregoire, F. Lecomte, B. Reimann, J.P. Schermann, and C. Desfrancois,
Infrared spectroscopy of mass-selected neutral molecular systems without chromophore: the formamide monomer and dimer.
Molecular Physics, 2005. 103(11-12): p. 1497-1503.

Lucas, B., G. Gregoire, J. Lemaire, P. Maitre, F. Glotin, J.P. Schermann, and C. Desfrancois,
Infrared multiphoton dissociation spectroscopy of protonated N-acetyl-alanine and alanyl-histidine.
International Journal of Mass Spectrometry, 2005. 243(2): p. 105-113.

Kang, H., C. Jouvet, C. Dedonder-Lardeux, S. Martrenchard, C. Charriere, G. Gregoire, C. Desfrancois, J.P. Schermann, M. Barat, and J.A. Fayeton,
Photoinduced processes in protonated tryptamine.
Journal of Chemical Physics, 2005. 122(8).

51. Kang, H., C. Jouvet, C. Dedonder-Lardeux, S. Martrenchard, G. Gregoire, C. Desfrancois, J.P. Schermann, M. Barat, and J.A. Fayeton, Ultrafast deactivation mechanisms of protonated aromatic amino acids following UV excitation. Physical Chemistry Chemical Physics, 2005. 7(2): p. 394-398.

52. Kang, H., C. Dedonder-Lardeux, C. Jouvet, G. Gregoire, C. Desfrancois, J.P. Schermann, M. Barat, and J.A. Fayeton, Control of bond-cleaving reactions of free protonated tryptophan ion by femtosecond laser pulses. Journal of Physical Chemistry A, 2005. 109(11): p. 2417-2420.

53. Lucas, B., F. Lecomte, B. Reimann, H.D. Barth, G. Gregoire, Y. Bouteiller, J.P. Schermann, and C. Desfrancois, A new infrared spectroscopy technique for structural studies of mass-selected neutral polar complexes without chromophore. Physical Chemistry Chemical Physics, 2004. 6(10): p. 2600-2604.

54. Lucas, B., G. Gregoire, J. Lemaire, P. Maitre, J.M. Ortega, A. Rupenyan, B. Reimann, J.P. Schermann, and C. Desfrancois, Investigation of the protonation site in the dialanine peptide by infrared multiphoton dissociation spectroscopy. Physical Chemistry Chemical Physics, 2004. 6(10): p. 2659-2663.

55. Kang, H., C. Dedonder-Lardeux, C. Jouvet, S. Martrenchard, G. Gregoire, C. Desfrancois, J.P. Schermann, M. Barat, and J.A. Fayeton, Photo-induced dissociation of protonated tryptophan TrpH(+): A direct dissociation channel in the excited states controls the hydrogen atom loss. Physical Chemistry Chemical Physics, 2004. 6(10): p. 2628-2632.