Evaluation of MP2, DFT, and DFT-D Methods for the Prediction of Infrared Spectra of Peptides
Bouteiller, Yves, Poully, Jean Christophe, Desfrançois, Charles, Grégoire, Gilles
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.06.2009)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.06.2009)
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Journal Article
Experimental Observation of the Transition between Gas-Phase and Aqueous Solution Structures for Acetylcholine, Nicotine, and Muscarine Ions
Seydou, Mahamadou, Grégoire, Gilles, Liquier, Jean, Lemaire, J, Schermann, Jean Pierre, Desfrançois, Charles
Published in Journal of the American Chemical Society (26.03.2008)
Published in Journal of the American Chemical Society (26.03.2008)
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Journal Article
Intrinsic Neutral and Anionic Structures of Glutathione
Ko, Yeon Jae, Wang, Haopeng, Li, Xiang, Bowen, Kit. H., Lecomte, Frédéric, Desfrançois, Charles, Poully, Jean-Christophe, Grégoire, Gilles, Schermann, Jean Pierre
Published in Chemphyschem (07.12.2009)
Published in Chemphyschem (07.12.2009)
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Journal Article
Gas-Phase Structure of Amyloid-β (12 – 28) Peptide Investigated by Infrared Spectroscopy, Electron Capture Dissociation and Ion Mobility Mass Spectrometry
Le, Thi Nga, Poully, Jean Christophe, Lecomte, Frédéric, Nieuwjaer, Nicolas, Manil, Bruno, Desfrançois, Charles, Chirot, Fabien, Lemoine, Jerome, Dugourd, Philippe, van der Rest, Guillaume, Grégoire, Gilles
Published in Journal of the American Society for Mass Spectrometry (01.12.2013)
Published in Journal of the American Society for Mass Spectrometry (01.12.2013)
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Journal Article
Ligand-protected gold nanoclusters probed by IRMPD spectroscopy and quantum chemistry calculations
Nieuwjaer, N., Beydoun, A., Lecomte, F., Manil, B., Scuderi, D., Desfrançois, C.
Published in Journal of molecular spectroscopy (01.01.2022)
Published in Journal of molecular spectroscopy (01.01.2022)
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Journal Article
Infrared Signature of DNA G-Quadruplexes in the Gas Phase
Gabelica, Valérie, Rosu, Frédéric, De Pauw, Edwin, Lemaire, Joël, Gillet, Jean-Christophe, Poully, Jean-Christophe, Lecomte, Frédéric, Grégoire, Gilles, Schermann, Jean-Pierre, Desfrançois, Charles
Published in Journal of the American Chemical Society (13.02.2008)
Published in Journal of the American Chemical Society (13.02.2008)
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Probing the specific interactions and structures of gas-phase vancomycin antibiotics with cell-wall precursor through IRMPD spectroscopy
Poully, Jean Christophe, Lecomte, Frédéric, Nieuwjaer, Nicolas, Manil, Bruno, Schermann, Jean Pierre, Desfrançois, Charles, Calvo, Florent, Grégoire, Gilles
Published in Physical chemistry chemical physics : PCCP (14.04.2010)
Published in Physical chemistry chemical physics : PCCP (14.04.2010)
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Journal Article
IRMPD spectroscopy and quantum chemistry calculations on mono- and bi-metallic complexes of acetylacetonate ligands with aluminum, iron, and ruthenium ions
Nieuwjaer, N, Beydoun, A, Lecomte, F, Manil, B, Cappelluti, F, Guidoni, L, Scuderi, D, Desfrançois, C
Published in The Journal of chemical physics (21.12.2020)
Published in The Journal of chemical physics (21.12.2020)
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Journal Article
Investigation of the protonation site in the dialanine peptide by infrared multiphoton dissociation spectroscopy
LUCAS, Bruno, GREGOIRE, Gilles, LEMAIRE, Joël, MAITRE, Philippe, ORTEGA, Jean-Michel, RUPENYAN, Alisa, REIMANN, Bernd, SCHERMANN, Jean Pierre, DESFRANCOIS, Charles
Published in Physical chemistry chemical physics : PCCP (21.05.2004)
Published in Physical chemistry chemical physics : PCCP (21.05.2004)
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Journal Article
The parent anion of the RGD tripeptide: Photoelectron spectroscopy and quantum chemistry calculations
Li, Xiang, Wang, Haopeng, Bowen, Kit H, Grégoire, G, Lecomte, F, Schermann, Jean-Pierre, Desfrançois, Charles
Published in The Journal of chemical physics (07.06.2009)
Published in The Journal of chemical physics (07.06.2009)
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Journal Article
Vibronic spectra of protonated hydroxypyridines: contributions of prefulvenic and planar structures
Garcia, R Lozada, Nieuwjaer, N, Desfrançois, C, Lecomte, F, Leite, S D, Manil, B, Broquier, M, Grégoire, G
Published in Physical chemistry chemical physics : PCCP (28.03.2017)
Published in Physical chemistry chemical physics : PCCP (28.03.2017)
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Journal Article
A new infrared spectroscopy technique for structural studies of mass-selected neutral polar complexes without chromophore
LUCAS, Bruno, LECOMTE, Frédéric, REIMANN, Bernd, BARTH, Hans-Dieter, GREGOIRE, Gilles, BOUTEILLER, Yves, SCHERMANN, Jean-Pierre, DESFRANCOIS, Charles
Published in Physical chemistry chemical physics : PCCP (21.05.2004)
Published in Physical chemistry chemical physics : PCCP (21.05.2004)
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Journal Article
Urea and methylurea dipole-bound anions
LECOMTE, Frédéric, LUCAS, Bruno, GREGOIRE, Gilles, SCHERMANN, Jean Pierre, DESFRANCOIS, Charles
Published in Physical chemistry chemical physics : PCCP (01.01.2003)
Published in Physical chemistry chemical physics : PCCP (01.01.2003)
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Journal Article
Combining ion mobility mass spectrometry and infrared multiphoton dissociation spectroscopy to probe the structure of gas-phase vancomycin–Ac2LKDADA non-covalent complex
Poully, Jean Christophe, Lecomte, Frédéric, Nieuwjaer, Nicolas, Manil, Bruno, Schermann, Jean Pierre, Desfrançois, Charles, Grégoire, Gilles, Ballivian, Renaud, Chirot, Fabien, Lemoine, Jérôme, Calvo, Florent, Antoine, Rodolphe, Dugourd, Philippe
Published in International journal of mass spectrometry (01.11.2010)
Published in International journal of mass spectrometry (01.11.2010)
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Journal Article
Long-range electron binding to quadrupolar molecules
Desfrançois, C, Bouteiller, Y, Schermann, J P, Radisic, D, Stokes, S T, Bowen, K H, Hammer, N I, Compton, R N
Published in Physical review letters (27.02.2004)
Published in Physical review letters (27.02.2004)
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Journal Article
Combining ion mobility mass spectrometry and infrared multiphoton dissociation spectroscopy to probe the structure of gas-phase vancomycin–Ac 2 LK DA DA non-covalent complex
Poully, Jean Christophe, Lecomte, Frédéric, Nieuwjaer, Nicolas, Manil, Bruno, Schermann, Jean Pierre, Desfrançois, Charles, Grégoire, Gilles, Ballivian, Renaud, Chirot, Fabien, Lemoine, Jérôme, Calvo, Florent, Antoine, Rodolphe, Dugourd, Philippe
Published in International journal of mass spectrometry (2010)
Published in International journal of mass spectrometry (2010)
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Journal Article
combining ion mobility mass spectrometry and infrared multiphoton dissociation spectroscopy to robe the structure of gas-phase vancomycin-Ac(2)(L)K(D)A(D)A non-covalent complex
Poully, Jean Christophe, Lecomte, Frédéric, Nieuwjaer, N., Manil, Bruno, Schermann, J.-P., Desfrançois, Charles, Grégoire, Gilles, Ballivian, R., Chirot, Fabien, Lemoine, J., Calvo, F., Antoine, Rodolphe, Dugourd, P.
Published in International journal of mass spectrometry (2010)
Published in International journal of mass spectrometry (2010)
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Journal Article
Comparison of the fragmentation pattern induced by collisions, laser excitation and electron capture. Influence of the initial excitation
Antoine, R., Broyer, M., Chamot-Rooke, J., Dedonder, C., Desfrançois, C., Dugourd, P., Grégoire, G., Jouvet, C., Onidas, D., Poulain, P., Tabarin, T., van der Rest, G.
Published in Rapid communications in mass spectrometry (01.01.2006)
Published in Rapid communications in mass spectrometry (01.01.2006)
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Journal Article
Studies of protonated and anionic artemisinin in the gas-phase by infrared multi-photon dissociation and by negative ion photoelectron spectroscopies
Seydou, M., Gillet, J.C., Li, X., Wang, H., Posner, G.H., Grégoire, G., Schermann, J.P., Bowen, K.H., Desfrançois, C.
Published in Chemical physics letters (05.12.2007)
Published in Chemical physics letters (05.12.2007)
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