Mathias Rapacioli (M Rapacioli)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 17

Top Venues

Physical chemistry chemical physics : PCCP

Journal of chemical information and modeling

The journal of physical chemistry. A

The journal of physical chemistry letters

Laboratoire de Chimie et Physique Quantique

Université Toulouse III - Paul Sabatier (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Laboratoire de Chimie et Physique Quantique

France

Chargé de recherche

Technische Universität Dresden

Germany

Humbold postdoctoral fellow

Education History

Université Toulouse III - Paul Sabatier

France

PHD

Université Toulouse III - Paul Sabatier

France

MSC

Publications

Valentin Milia, Nathalie Tarrat, Christophe Zanon, Juan Cortes, Mathias Rapacioli
Exploring Molecular Energy Landscapes by Coupling the DFTB Potential with a Tree-Based Stochastic Algorithm: Investigation of the Conformational Diversity of Phthalates. Journal of chemical information and modeling 64 (8) (2024)
Maysa Yusef-Buey, Tzonka Mineva, Dahbia Talbi, Mathias Rapacioli
Temperature driven transformations of glycine molecules embedded in interstellar ice. Physical chemistry chemical physics : PCCP (2024)
Maysa Yusef-Buey, Tzonka Mineva, Dahbia Talbi, Mathias Rapacioli
Temperature driven transformations of glycine molecules embedded in interstellar ice. Physical chemistry chemical physics : PCCP 26 (3) (2024)
Valentin Milia, Nathalie Tarrat, Christophe Zanon, Juan Cortes, Mathias Rapacioli
Exploring Molecular Energy Landscapes by Coupling the DFTB Potential with a Tree-Based Stochastic Algorithm: Investigation of the Conformational Diversity of Phthalates. Journal of chemical information and modeling 64 (8) (2024)
Maysa Yusef-Buey, Tzonka Mineva, Dahbia Talbi, Mathias Rapacioli
Temperature driven transformations of glycine molecules embedded in interstellar ice. Physical chemistry chemical physics : PCCP 26 (3) (2024)
Valentin Milia, Nathalie Tarrat, Christophe Zanon, Juan Cortes, Mathias Rapacioli
Exploring Molecular Energy Landscapes by Coupling the DFTB Potential with a Tree-Based Stochastic Algorithm: Investigation of the Conformational Diversity of Phthalates. Journal of chemical information and modeling 64 (8) (2024)
Valentin Milia, Nathalie Tarrat, Christophe Zanon, Juan Cortes, Mathias Rapacioli
Exploring Molecular Energy Landscapes by Coupling the DFTB Potential with a Tree-Based Stochastic Algorithm: Investigation of the Conformational Diversity of Phthalates. Journal of chemical information and modeling (2024)
Heloïse Leboucher, Aude Simon, Mathias Rapacioli
Structures and stabilities of PAH clusters solvated by water aggregates: The case of the pyrene dimer. The Journal of chemical physics 158 (11) (2023)
Grégoire Salomon, Nathalie Tarrat, J Christian Schön, Mathias Rapacioli
Low-Energy Transformation Pathways between Naphthalene Isomers. Molecules (Basel, Switzerland) 28 (15) (2023)
Mathias Rapacioli, Maysa Yusef Buey, Fernand Spiegelman
Addressing electronic and dynamical evolution of molecules and molecular clusters: DFTB simulations of energy relaxation in polycyclic aromatic hydrocarbons. Physical chemistry chemical physics : PCCP (2023)
Paula Pla, Clément Dubosq, Mathias Rapacioli, Evgeny Posenitskiy, Manuel Alcamí, Aude Simon
Hydrogenation of C24 Carbon Clusters: Structural Diversity and Energetic Properties. The journal of physical chemistry. A (2021)
Lei Lei, Yuzhong Yao, Jie Zhang, Dale Tronrud, Wei Kong, Chengzhu Zhang, Lan Xue, Léo Dontot, Mathias Rapacioli
Electron Diffraction of Pyrene Nanoclusters Embedded in Superfluid Helium Droplets. The journal of physical chemistry letters 11 (3) (2020)
Fernand Spiegelman, Nathalie Tarrat, Jérôme Cuny, Leo Dontot, Evgeny Posenitskiy, Carles Martí, Aude Simon, Mathias Rapacioli
Density-functional tight-binding: basic concepts and applications to molecules and clusters. Advances in physics: X 5 (1) (2020)
Jérôme Cuny, Jesus Cerda Calatayud, Narjes Ansari, Ali A Hassanali, Mathias Rapacioli, Aude Simon
Simulation of Liquids with the Tight-Binding Density-Functional Approach and Improved Atomic Charges. The journal of physical chemistry. B 124 (34) (2020)
Mathias Rapacioli, Fernand Spiegelman, Nathalie Tarrat
Evidencing the relationship between isomer spectra and melting: the 20- and 55-atom silver and gold cluster cases. Physical chemistry chemical physics : PCCP 21 (45) (2019)
Léo Dontot, Fernand Spiegelman, Mathias Rapacioli
Structures and Energetics of Neutral and Cationic Pyrene Clusters. The journal of physical chemistry. A 123 (44) (2019)
Mathias Rapacioli, Nathalie Tarrat, Fernand Spiegelman
Melting of the Au20 Gold Cluster: Does Charge Matter? The journal of physical chemistry. A 122 (16) (2018)

Mathias Rapacioli.css-eqlu8i{font-size:small;padding-left:4px;} (M Rapacioli)

Publication Activity (10 Years)

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Top Venues

Mathias Rapacioli (M Rapacioli)