Mohammad Esmaïl Alikhani

11PUBLICATIONS
12CO-AUTHORS
Theoretical quantum chemistryOrganic semiconductorsStatistical mechanics in chemistryRadiation and matterChemical thermodynamics and energetics
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Publications (11)

|Sep 10, 2026
Predicting the Stepwise Growth of Lithium Clusters Around Sulfur Species (S and S2) From the Topology of the Electron Localization Function.

|Aug 12, 2026
Dopant-Tailored Matrices: A Crystal Engineering Strategy for Organic Room-Temperature Phosphorescent Host-Guest Systems and Beyond.

|Jul 27, 2025
Population Analysis From Variational Chemical Partition of Molecular Position Space.

Bernard Silvi, M Esmaïl Alikhani

|May 15, 2025
Modulation of the Product Upon the Reaction of CO2 With Dimethylamine Cluster: A Topological Analysis of the Reaction Mechanism.

Mohammad Esmaïl Alikhani, Bernard Silvi

|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

|Jun 20, 2024
Microsolvation of cobalt, nickel, and copper atoms with ammonia: a theoretical study of the solvated electron precursors.

Mohammad Esmaïl Alikhani, Bruno Madebène, Bernard Silvi

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Frequent Collaborators

3 joint publications

Bernard Silvi

2 joint publications

Vanessa Labet

1 joint publications

Helgi Rafn Hrodmarsson

1 joint publications

Martin Schwell