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List of works by Marie-Pierre Gaigeot

2D H-Bond Network as the Topmost Skin to the Air-Water Interface.

scientific article published on 23 June 2017

2D-HB-Network at the air-water interface: A structural and dynamical characterization by means of ab initio and classical molecular dynamics simulations

scientific article published on 01 May 2018

Combining Static and Dynamical Approaches for Infrared Spectra Calculations of Gas Phase Molecules and Clusters.

scientific article

Conformational assignment of gas phase peptides and their H-bonded complexes using far-IR/THz: IR-UV ion dip experiment, DFT-MD spectroscopy, and graph theory for mode assignment

scientific article published on 01 July 2019

Controlling internal degrees: general discussion

scientific article published on 01 July 2019

DFT-MD of the (110)-Co3O4 cobalt oxide semiconductor in contact with liquid water, preliminary chemical and physical insights into the electrochemical environment

scientific article published on 01 January 2019

Enhanced conductivity of water at the electrified air-water interface: a DFT-MD characterization

scientific article published on 27 February 2020

Exotic systems: general discussion

scientific article published on 01 July 2019

Gas-Phase Infrared Spectroscopy of Neutral Peptides: Insights from the Far-IR and THz Domain

scientific article published on 19 February 2020

Going large(r): general discussion

scientific article published on 01 July 2019

Graph theory for automatic structural recognition in molecular dynamics simulations

scientific article published on 01 November 2018

Heterogeneous Interactions between Gas-Phase Pyruvic Acid and Hydroxylated Silica Surfaces: A Combined Experimental and Theoretical Study

scientific article published on 29 January 2019

Interactions of aggregating peptides probed by IR-UV action spectroscopy

scientific article published on 01 July 2019

Ions Tune Interfacial Water Structure and Modulate Hydrophobic Interactions at Silica Surfaces

scientific article published on 01 April 2020

Molecular hydrophobicity at a macroscopically hydrophilic surface

article published in the Proceedings of the National Academy of Sciences of the United States of America

Proton Collision on Deoxyribose Originating from Doubly Ionized Water Molecule Dissociation

scientific article published on 11 June 2018

Pushing resolution in frequency and time: general discussion

scientific article published on 01 July 2019

Water orientation and hydrogen-bond structure at the fluorite/water interface

scientific article

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