List of publications
2021—2020—2019
2022
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2021
Gatineau, D., H. Dossmann, H. Clavier, A. Memboeuf, L. Drahos, Y. Gimbert, and D. Lesage,
"Ligand effects in gold-carbonyl complexes: Evaluation of the bond dissociation energies using blackbody infrared radiative dissociation",
International Journal of Mass Spectrometry, vol. 463, pp. 116545, 2021.
Tabet, J-C., Y. Gimbert, A. Damont, D. Touboul, F. Fenaille, and A. S. Woods,
"Combining Chemical Knowledge and Quantum Calculation for Interpreting Low-Energy Product Ion Spectra of Metabolite Adduct Ions: Sodiated Diterpene Diester Species as a Case Study",
J. Am. Soc. Mass Spectrom., vol. 32, pp. 2499–2504, 2021.
Darii, E., Y. Gimbert, S. Alves, A. Damont, A. Perret, A. S. Woods, F. Fenaille, and J-C. Tabet,
"First Direct Evidence of Interpartner Hydride/Deuteride Exchanges for Stored Sodiated Arginine/Fructose-6-phosphate Complex Anions within Salt-Solvated Structures",
J. Am. Soc. Mass Spectrom., vol. 32, pp. 1424–1440, 2021.
Buitrago, E., C. Faure, L. Challali, E. Bergantino, A. Boumendjel, L. Bubacco, M. Carotti, R. Hardre, M. Maresca, C. Philouze, et al.,
"Ditopic Chelators of Dicopper Centers for Enhanced Tyrosinases Inhibition",
Chemistry – A European Journal, vol. 27, pp. 4384-4393, 2021.
Fortrie, R., D. Gatineau, D. Hérault, A. Béal, J-V. Naubron, L. Giordano, and G. Buono,
"Racemization mechanism of lithium tert-butylphenylphosphido-borane: A kinetic insight",
Chirality, vol. n/a, 2021.
Darghouth, A. Aldin M. H., M. E. Casida, X.(朱熹) Zhu, B. Natarajan, H.(蘇海斌 Su, A. Humeniuk, E. Titov, ii, X.(缪昕丞 Miao, and R. Mitrić,
"Effect of varying the TD-lc-DFTB range-separation parameter on charge and energy transfer in a model pentacene/buckminsterfullerene heterojunction",
J. Chem. Phys., vol. 154, pp. 054102, 2021.
Ponra, A., A. Justine Etindele, O. Motapon, and M. E. Casida,
"Practical treatment of singlet oxygen with density-functional theory and the multiplet-sum method",
Theor Chem Acc, vol. 140, pp. 154, 2021.
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2020
Fortunato, M., Y. Gimbert, E. Rousset, P. Lameiras, A. Martinez, S. Gatard, R. Plantier-Royon, and F. Jaroschik,
"Diastereoselective Synthesis of Axially Chiral Xylose-Derived 1,3-Disubstituted Alkoxyallenes: Scope, Structure, and Mechanism",
The Journal of Organic Chemistry, 2020.
Khazri, M.., K.. Sahra, A. Milet, B.. Jamoussi, and S.. Messaoudi,
"DFT and TDDFT Study of 4-((Furan-2-Ylmethyl)Sulfonyl)-Substituted ZINC(II) Phthalocyanine: Importance of Grimme Dispersion with A Becke–Johnson Damping Correction and the Substituent Effect",
Journal of Structural Chemistry, vol. 61, pp. 844–851, 2020.
Leqraa, N., Y. Nicolet, A. Milet, and Y.. Vallee,
"A way to thioacetate esters compatible with non-oxidative prebiotic conditions",
Scientific Reports, vol. 10, pp. 14488, 2020.
Dossmann, H., D. Gatineau, H. Clavier, A. Memboeuf, D. Lesage, and Y. Gimbert,
"Exploring Phosphine Electronic Effects on Molybdenum Complexes: A Combined Photoelectron Spectroscopy and Energy Decomposition Analysis Study",
J. Phys. Chem. A, vol. 124, pp. 8753–8765, 2020.
Faure, C., H. Jamet, C. Belle, and A. Du Moulinet D'Hardemare,
"Exploring Coumarins Reduction: NaBH4/MeOH versus Nickel Boride Generated In Situ.",
ChemistrySelect, vol. 5, pp. 14735-14740, 2020.
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2019
Don, V. Subasinghe, R. David, P. Du, A. Milet, and R. Kumar,
"Interfacial Water at Graphene Oxide Surface: Ordered or Disordered?",
The Journal of Physical Chemistry B, vol. 123, pp. 1636–1649, 2019.
Lanoe, P-H., A. Moreno-Betancourt, L. Wilson, C. Philouze, C. Monnereau, H. Jamet, Damien Jouvenot, and F. Loiseau,
"Neutral heteroleptic cyclometallated Platinum(II) complexes featuring 2-phenylbenzimidazole ligand as bright emitters in solid state and in solution",
Dyes and Pigments, vol. 162, pp. 967 - 977, 2019.
Taouali, W., M. E. Casida, S. Znaidia, and K. Alimi,
"Rational design of (D-A) copolymers towards high efficiency organic solar cells: DFT and TD-DFT study",
Journal of Molecular Graphics and Modelling, vol. 89, pp. 139–146, 2019.
Bresnahan, C. G., K. A. Taylor-Edinbyrd, A. H. Cleveland, J. A. Malone, N. S. Dange, A. Milet, R. Kumar, and R. Kartika,
"Mechanistic Perspectives in the Regioselective Indole Addition to Unsymmetrical Silyloxyallyl Cations",
The Journal of Organic Chemistry, 2019.
Perna, F. M., A. Falcicchio, A. Salomone, A. Milet, R. Rizzi, G. Hamdoun, G. Barozzino‐Consiglio, D. Stalke, H. Oulyadi, and V. Capriati,
"First Direct Evidence of an ortho-Lithiated Aryloxetane: Solid and Solution Structure, and Dynamics",
European Journal of Organic Chemistry, vol. 2019, pp. 5549–5556, 2019.
Xia, Z., V. Corcé, F. Zhao, C. Przybylski, A. Espagne, L. Jullien, T. Le Saux, Y. Gimbert, H. Dossmann, V. Mouriès-Mansuy, et al.,
"Photosensitized oxidative addition to gold(I) enables alkynylative cyclization of oalkylnylphenols with iodoalkynes",
Nature Chemistry, 2019.
Bresnahan, C. G., R. David, A. Milet, and R. Kumar,
"Ion Pairing in HCl-Water Clusters: From Electronic Structure Investigations to Multiconfigurational Force-Field Development",
The Journal of Physical Chemistry A, 2019.
Cassé, M., C. Nisole, H. Dossmann, Y. Gimbert, J-M. Fourquez, L. Haberkorn, C. Ollivier, and L. Fensterbank,
"Trifluoromethyl radical triggered radical cyclization of N-benzoyl ynamides leading to isoindolinones",
Science China Chemistry, vol. 62, pp. 1542–1546, 2019.
Bayat, P., D. Gatineau, D. Lesage, V. Robert, A. Martinez, and R. B. Cole,
"Investigation of Hemicryptophane Host-Guest Binding Energies Using High-Pressure Collision-Induced Dissociation in Combination with RRKM Modeling",
Journal of The American Society for Mass Spectrometry, vol. 30, pp. 509–518, 2019.
Bayat, P., D. Gatineau, D. Lesage, S. Marhabaie, A. Martinez, and R. B. Cole,
"Investigation of activation energies for dissociation of host-guest complexes in the gas phase using low-energy collision induced dissociation",
Journal of mass spectrometry: JMS, vol. 54, pp. 437–448, 2019.
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