sana bougueroua
Université d'Évry-Val d'Essonne
H-index: 6
Europe-France
Top articles of sana bougueroua
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Time-Resolved Graphs of Polymorphic Cycles for H-Bonded Network Identification in Flexible Biomolecules | Journal of Chemical Theory and Computation | Ylène Aboulfath Sana Bougueroua Alvaro Cimas Dominique Barth Marie-Pierre Gaigeot | 2024/1/18 |
Algorithmic Graph Theory, Reinforcement Learning and Game Theory in MD Simulations: From 3D Structures to Topological 2D-Molecular Graphs (2D-MolGraphs) and Vice Versa | Sana Bougueroua Marie Bricage Ylène Aboulfath Dominique Barth Marie-Pierre Gaigeot | 2023/3/23 | |
High-Throughput Reactivity Exploration for Extended Databases of Transition Metal Catalysts | ChemRxive | Ali Hashemi Sana Bougueroua Marie-Pierre Gaigeot Evgeny Pidko | 2023/2/21 |
Merging electrocatalytic alcohol oxidation with C–N bond formation by electrifying metal–ligand cooperative catalysts | Chemical Science | Sitthichok Kasemthaveechok Patrice Gérardo Niklas von Wolff | 2023 |
HiREX: High-Throughput Reactivity Exploration for Extended Databases of Transition-Metal Catalysts | Journal of Chemical Information and Modeling | Ali Hashemi Sana Bougueroua Marie-Pierre Gaigeot Evgeny A Pidko | 2023/9/22 |
Algorithmic graph theory for post-processing molecular dynamics trajectories | Sana Bougueroua Ylène Aboulfath Dominique Barth Marie-Pierre Gaigeot | 2023/4/18 | |
Direct Dynamics for Vibrational Spectroscopy: From Large Molecules in the Gas Phase to the Condensed Phase | World Scientific Publishing Company: Singapore | Sana Bougueroua Vladimir Chantitch Wanlin Chen Simone Pezzotti Marie-Pierre Gaigeot | 2022/7/28 |
ReNeGate: A reaction network graph-theoretical tool for automated mechanistic studies in computational homogeneous catalysis | Journal of chemical theory and computation | Ali Hashemi Sana Bougueroua Marie-Pierre Gaigeot Evgeny A Pidko | 2022/11/2 |
GaTewAY: Graph theory-based software for automatic analysis of molecular conformers generated over time | Sana Bougueroua Franck Quessette Dominique Barth Marie-Pierre Gaigeot | 2022/10/27 | |
Enhanced conductivity of water at the electrified air–water interface: a DFT-MD characterization | Physical Chemistry Chemical Physics | Fabrizio Creazzo Simone Pezzotti Sana Bougueroua Alessandra Serva Jiri Sponer | 2020 |
