Thierry Leininger

7PUBLICATIONS
12CO-AUTHORS
Chemical thermodynamics and energeticsNumerical solution of differential and integral equationsCondensed matter modelling and density functional theoryCarbon capture engineering (excl. sequestration)Structural properties of condensed matter
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Publications (7)

|Jul 22, 2025
Charge localization in diatomic ions investigated with a new dipole moment driven approach. Test for Ne2+ and (ArNe).

Martina Ćosićová, Thierry Leininger, René Kalus

|Jul 15, 2025
Tests of Artificial Neural Network-Based Diabatization Approaches on Simple 1D Models.

Martina Ćosićová, Thierry Leininger, René Kalus

|Nov 08, 2023
Electronic Structure of Pentagonal Carbon Nanocones: An ab Initio Study.

Samuel Henrique Mattoso, Véronique Brumas, Stefano Evangelisti

|Sep 23, 2022
Multilayer Graphtriyne Membranes for Separation and Storage of CO2: Molecular Dynamics Simulations of Post-Combustion Model Mixtures.

Yusuf Bramastya Apriliyanto, Noelia Faginas-Lago, Stefano Evangelisti

|Nov 04, 2021
Toward a Generalized Hückel Rule: The Electronic Structure of Carbon Nanocones.

Yusuf Bramastya Apriliyanto, Stefano Battaglia, Stefano Evangelisti

|May 19, 2018
The Electronic Structure of Beryllium Chains.

Ahmad W Huran, Nadia Ben Amor, Stefano Evangelisti

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Frequent Collaborators

2 joint publications

Stefano Evangelisti

2 joint publications

Yusuf Bramastya Apriliyanto

2 joint publications

Noelia Faginas-Lago

2 joint publications

Martina Ćosićová