Vanessa Labet

3PUBLICATIONS
6CO-AUTHORS
Chemical thermodynamics and energeticsTheoretical quantum chemistryCatalysis and mechanisms of reactions
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Publications (3)

|Oct 04, 2024
How to search for and reveal a hidden intermediate? The ELF topological description of non-synchronicity in double proton transfer reactions under oriented external electric field.

Vanessa Labet, Antoine Geoffroy-Neveux, Mohammad Esmaïl Alikhani

|Apr 05, 2024
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns.

Guillaume Hoffmann, Frédéric Guégan, Vanessa Labet

|May 11, 2022
Influence of an Oriented External Electric Field on the Mechanism of Double Proton Transfer between Pyrazole and Guanidine: from an Asynchronous Plateau Transition State to a Synchronous or Stepwise Mechanism.

Antoine Geoffroy-Neveux, Vanessa Labet, M Esmail Alikhani

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Frequent Collaborators

2 joint publications

Mohammad Esmaïl Alikhani

1 joint publications

Guillaume Hoffmann

1 joint publications

Frédéric Guégan

1 joint publications

Henry Chermette