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Publications by Aude Simon

Density-Functional Tight-Binding: Basic Concepts and Applications to Molecules and Clusters

Advances in Physics: X
AstronomyPhysics
2020English

Cover Feature: Direct Evidence of the Benzylium and Tropylium Cations as the Two Long-Lived Isomers of C7 H7 + (ChemPhysChem 23/2018)

ChemPhysChem
Theoretical ChemistryPhysicalOpticsAtomicMolecular Physics,
2018English

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Ferromagnetic Cluster Spin Wave Theory: Concepts and Applications to Magnetic Molecules

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STUDY OF TiO2 NANOPARTICLES’ STRUCTURE USING DENSITY FUNCTIONAL THEORY BASED TIGHT BINDING METHOD

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Structure and Stability of Molecular Crystals With Many-Body Dispersion-Inclusive Density Functional Tight Binding

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Effect of Nuclear Motion on Charge Transport in Fullerenes: A Combined Density Functional Tight Binding—Density Functional Theory Investigation

Frontiers in Energy Research
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Density-Functional Tight-Binding Simulations of Curvature-Controlled Layer Decoupling and Band-Gap Tuning in BilayerMoS2

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Bonding and Properties of Superatoms. Analogs to Atoms and Molecules and Related Concepts From Superatomic Clusters

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