Gregoire David

Rennes, 35042, France

Last Updated: 09/26/2026

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Found 32 publications

Magneto-Optical Correlations and Optical Signatures of Low-Coordinated and Highly Symmetrical Tb(III) Complexes.

Magneto-Optical Correlations and Optical Signatures of Low-Coordinated and Highly Symmetrical Tb(III) Complexes.

Journal: Inorganic chemistry

Published: May 28, 2026

Promoting exchange coupling in (CpiPr5)2Gd2X3 complexes.

Promoting exchange coupling in (CpiPr5)2Gd2X3 complexes.

Journal: Chemical communications (Cambridge, England)

Published: October 01, 2024

Computation of Magnetic Exchange Couplings in Photoexcited Systems Based on KS-DFT.

Computation of Magnetic Exchange Couplings in Photoexcited Systems Based on KS-DFT.

Journal: The journal of physical chemistry letters

Published: September 25, 2024

On Entangled Singlet Pure Diradicals.

On Entangled Singlet Pure Diradicals.

Journal: The journal of physical chemistry. A

Published: May 15, 2024

What governs magnetic exchange couplings in radical-bridged dinuclear complexes?

What governs magnetic exchange couplings in radical-bridged dinuclear complexes?

Journal: Physical chemistry chemical physics : PCCP

Published: March 04, 2024

Modeling interactions between rubidium atom and magnetometer cell wall molecules.

Modeling interactions between rubidium atom and magnetometer cell wall molecules.

Journal: The Journal of chemical physics

Published: February 01, 2024

Revisiting magnetic exchange couplings in heterodinuclear complexes through the decomposition method in KS-DFT.

Revisiting magnetic exchange couplings in heterodinuclear complexes through the decomposition method in KS-DFT.

Journal: Physical chemistry chemical physics : PCCP

Published: May 10, 2023

Consistent Evaluation of Magnetic Exchange Couplings in Multicenter Compounds in KS-DFT: The Recomposition Method.

Consistent Evaluation of Magnetic Exchange Couplings in Multicenter Compounds in KS-DFT: The Recomposition Method.

Journal: Journal of chemical theory and computation

Published: December 08, 2022

An Embedded Fragment Method for Molecules in Strong Magnetic Fields.

An Embedded Fragment Method for Molecules in Strong Magnetic Fields.

Journal: Journal of chemical theory and computation

Published: November 22, 2022

Difficulty of the evaluation of the barrier height of an open-shell transition state between closed shell minima: The case of small C4n rings.

Difficulty of the evaluation of the barrier height of an open-shell transition state between closed shell minima: The case of small C4n rings.

Journal: The Journal of chemical physics

Published: June 15, 2022

Biocomposites from poly(3-hydroxybutyrate-co-3-hydroxyvalerate) and lignocellulosic fillers: Processes stored in data warehouse structured by an ontology.

Biocomposites from poly(3-hydroxybutyrate-co-3-hydroxyvalerate) and lignocellulosic fillers: Processes stored in data warehouse structured by an ontology.

Journal: Data in brief

Published: February 28, 2022

Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Based Approaches.

Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Based Approaches.

Journal: Journal of chemical theory and computation

Published: September 14, 2021

Showing 1-12 of 32

Last Updated: 09/26/2026