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MG

Marie-Pierre GAIGEOT

11

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794549

	Molecular Fingerprints of Hydrophobicity at Aqueous Interfaces from Theory and Vibrational Spectroscopies Simone Pezzotti , Alessandra Serva , Federico Sebastiani , Flavio Siro Brigiano , Daria Ruth Galimberti Journal of Physical Chemistry Letters, 2021, 12 (15), pp.3827-3836. ⟨10.1021/acs.jpclett.1c00257⟩ Article dans une revue hal-03641892v1
	Wrapping Up Hydrophobic Hydration: Locality Matters V. Conti Nibali , S. Pezzotti , F. Sebastiani , D. Galimberti , G. Schwaab Journal of Physical Chemistry Letters, 2020, 11 (12), pp.4809-4816. ⟨10.1021/acs.jpclett.0c00846⟩ Article dans une revue hal-02959973v1
	Deconvolution of BIL-SFG and DL-SFG spectroscopic signals reveals order/disorder of water at the elusive aqueous silica interface Simone Pezzotti , Daria Ruth Galimberti , Marie-Pierre Gaigeot Physical Chemistry Chemical Physics, 2019, 21 (40), pp.22188-22202. ⟨10.1039/C9CP02766A⟩ Article dans une revue hal-02572341v1
	DFT-MD of the (110)-Co₃O₄ cobalt oxide semiconductor in contact with liquid water, preliminary chemical and physical insights into the electrochemical environment Fabrizio Creazzo , Daria Ruth Galimberti , Simone Pezzotti , Marie-Pierre Gaigeot Journal of Chemical Physics, 2019, 150 (4), pp.041721. ⟨10.1063/1.5053729⟩ Article dans une revue hal-02104556v1
	Structural definition of the BIL and DL: a new universal methodology to rationalize non-linear χ⁽²⁾(ω) SFG signals at charged interfaces, including χ⁽³⁾(ω) contributions Simone Pezzotti , Daria Ruth Galimberti , Y. Ron Shen , Marie-Pierre Gaigeot Physical Chemistry Chemical Physics, 2018, 20 (7), pp.5190-5199. ⟨10.1039/C7CP06110B⟩ Article dans une revue hal-02110441v1
	Combining ab-initio and classical molecular dynamics simulations to unravel the structure of the 2D-HB-network at the air-water interface Alessandra Serva , Simone Pezzotti , Sana Bougueroua , Daria Ruth Galimberti , Marie-Pierre Gaigeot Journal of Molecular Structure, 2018, 1165, pp.71-78. ⟨10.1016/j.molstruc.2018.03.074⟩ Article dans une revue hal-02082460v1
	Molecular hydrophobicity at a macroscopically hydrophilic surface Jenée D. Cyran , Michael A. Donovan , Doris Vollmer , Flavio Siro Brigiano , Simone Pezzotti Proceedings of the National Academy of Sciences of the United States of America, 2018, 116 (5), pp.1520-1525. ⟨10.1073/PNAS.1819000116⟩ Article dans une revue hal-02110446v1
	Influence of argon and D₂ tagging on the hydrogen bond network in Cs⁺(H₂O)₃; kinetic trapping below 40 K Tim K. Esser , Harald Knorke , Flavio Siro-Brigiano , Daria Ruth Galimberti , Knut R. Asmis Physical Chemistry Chemical Physics, 2018, 20 (45), pp.28476-28486. ⟨10.1039/C8CP06020G⟩ Article dans une revue hal-02110442v1
	Static vs dynamic DFT prediction of IR spectra of flexible molecules in the condensed phase: The (ClCF₂CF(CF₃)OCF₂CH₃) liquid as a test case Daria Ruth Galimberti , Alberto Milani , Marie-Pierre Gaigeot , Stefano Radice , Claudio Tonelli Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [1994-..], 2017, 183, pp.195-203. ⟨10.1016/J.SAA.2017.04.013⟩ Article dans une revue hal-02110167v1
	Combining Static and Dynamical Approaches for Infrared Spectra Calculations of Gas Phase Molecules and Clusters Daria R. Galimberti , Alberto Milani , Matteo Tommasini , Chiara Castiglioni , Marie-Pierre Gaigeot Journal of Chemical Theory and Computation, 2017, 13 (8), pp.3802-3813. ⟨10.1021/ACS.JCTC.7B00471⟩ Article dans une revue hal-02110169v1
	2D H-Bond Network as the Topmost Skin to the Air–Water Interface Simone Pezzotti , Daria Ruth Galimberti , Marie-Pierre Gaigeot Journal of Physical Chemistry Letters, 2017, 8 (13), pp.3133-3141. ⟨10.1021/ACS.JPCLETT.7B01257⟩ Article dans une revue hal-02110171v1