Concepedia

Sana Bougueroua

SB

8

Publications

180

Citations

8

H-Index

2018

Active since

Affiliations

Laboratoire Analyse et Modélisation pour la Biologie et l'Environnement(Current)

Université Paris-Saclay

Centre National de la Recherche Scientifique

Université d'Évry Val-d'Essonne

Université de Versailles Saint-Quentin-en-Yvelines

Sana Bougueroua is an author at Laboratoire Analyse et Modélisation pour la Biologie et l'Environnement specializing in computational chemistry, natural sciences, and engineering.

ORCID

Top concepts

Publications per year

2018–2023

8

Publications

8

Graph theory for automatic structural recognition in molecular dynamics simulations

Sana Bougueroua, Riccardo Spezia, Simone Pezzotti et al. · The Journal of Chemical Physics · 2018 · 37 citations · Full text

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 et al. · Journal of Molecular Structure · 2018 · 35 citations

, , +8

ReNeGate: A Reaction Network Graph-Theoretical Tool for Automated Mechanistic Studies in Computational Homogeneous Catalysis

Ali Hashemi, Sana Bougueroua, Marie‐Pierre Gaigeot et al. · Journal of Chemical Theory and Computation · 2022 · 32 citations · Full text

, , +19

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

Daria Ruth Galimberti, Sana Bougueroua, Jérôme Mahé et al. · Faraday Discussions · 2019 · 20 citations · Full text

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

Fabrizio Creazzo, Simone Pezzotti, Sana Bougueroua et al. · Physical Chemistry Chemical Physics · 2020 · 19 citations

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