Céline Chizallet

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 12

Top Topics

Density Functional Theory

Room Temperature

Magnetic Resonance

Top Venues

Inorganic chemistry

Journal of chemical theory and computation

Chemphyschem : a European journal of chemical physics and physical chemistry

Angewandte Chemie (International ed. in English)

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

Publications

Sabah El Mohammad, Sandrine Develle, Olivier Proux, Antonio Aguilar Tapia, Jean-Louis Hazemann, Christèle Legens, Céline Chizallet, Kim Larmier
Deciphering the Structure of Tungstate and Molybdate Complexes with Glucose, Mannose, and Erythrose. Inorganic chemistry (2024)
Loïc Dumortier, Céline Chizallet, Benoit Creton, Theodorus de Bruin, Toon Verstraelen
Managing Expectations and Imbalanced Training Data in Reactive Force Field Development: An Application to Water Adsorption on Alumina. Journal of chemical theory and computation (2024)
Sabah El Mohammad, Sandrine Develle, Olivier Proux, Antonio Aguilar Tapia, Jean-Louis Hazemann, Christèle Legens, Céline Chizallet, Kim Larmier
Deciphering the Structure of Tungstate and Molybdate Complexes with Glucose, Mannose, and Erythrose. Inorganic chemistry 63 (6) (2024)
Sabah El Mohammad, Sandrine Develle, Olivier Proux, Antonio Aguilar Tapia, Jean-Louis Hazemann, Christèle Legens, Céline Chizallet, Kim Larmier
Deciphering the Structure of Tungstate and Molybdate Complexes with Glucose, Mannose, and Erythrose. Inorganic chemistry 63 (6) (2024)
Loïc Dumortier, Céline Chizallet, Benoit Creton, Theodorus de Bruin, Toon Verstraelen
Managing Expectations and Imbalanced Training Data in Reactive Force Field Development: An Application to Water Adsorption on Alumina. Journal of chemical theory and computation 20 (9) (2024)
Sabah El Mohammad, Olivier Proux, Antonio Aguilar, Jean-Louis Hazemann, Christèle Legens, Céline Chizallet, Kim Larmier
Elucidation of Metal-Sugar Complexes: When Tungstate Combines with d-Mannose. Inorganic chemistry 62 (19) (2023)
Céline Chizallet, Christophe Bouchy, Kim Larmier, Gerhard D Pirngruber
Molecular Views on Mechanisms of Brønsted Acid-Catalyzed Reactions in Zeolites. Chemical reviews (2023)
Sabah El Mohammad, Olivier Proux, Antonio Aguilar, Jean-Louis Hazemann, Christèle Legens, Céline Chizallet, Kim Larmier
Elucidation of Metal-Sugar Complexes: When Tungstate Combines with d-Mannose. Inorganic chemistry (2023)
Ana T F Batista, Céline Chizallet, Fabrice Diehl, Anne-Lise Taleb, Anne-Sophie Gay, Ovidiu Ersen, Pascal Raybaud
Evaluating acid and metallic site proximity in Pt/γ-Al 2 O 3 -Cl bifunctional catalysts through an atomic scale geometrical model. Nanoscale 14 (24) (2022)
Adrien Hellier, Céline Chizallet, Pascal Raybaud
PtO x Cl y (OH) z (H 2 O) n Complexes under Oxidative and Reductive Conditions: Impact of the Level of Theory on Thermodynamic Stabilities. Chemphyschem : a European journal of chemical physics and physical chemistry (2022)
Jérôme Rey, Charles Bignaud, Pascal Raybaud, Tomáš Bučko, Céline Chizallet
Dynamic Features of Transition States for β-Scission Reactions of Alkenes over Acid Zeolites Revealed by AIMD Simulations. Angewandte Chemie (International ed. in English) 59 (43) (2020)
Marcelo Maciel Pereira, Elisa Silva Gomes, Alessandra Vieira Silva, Ana Belen Pinar, Marc-Georg Willinger, Sangaraju Shanmugam, Céline Chizallet, Guillaume Laugel, Pit Losch, Benoît Louis
Biomass-mediated ZSM-5 zeolite synthesis: when self-assembly allows to cross the Si/Al lower limit. Chemical science 9 (31) (2018)