Grégoire David

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 7

Top Topics

Liquid Chromatography

Density Functional Theory

Electron Transfer

Molecularly Imprinted

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. A

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Grégoire David, Gwenhaël Duplaix-Rata, Boris Le Guennic
What governs magnetic exchange couplings in radical-bridged dinuclear complexes? Physical chemistry chemical physics : PCCP 26 (11) (2024)
Georges Trinquier, Grégoire David, Elohan Veillon, Jean-Paul Malrieu
On Entangled Singlet Pure Diradicals. The journal of physical chemistry. A (2024)
Georges Trinquier, Grégoire David, Elohan Veillon, Jean-Paul Malrieu
On Entangled Singlet Pure Diradicals. The journal of physical chemistry. A 128 (21) (2024)
Grégoire David, Gwenhaël Duplaix-Rata, Boris Le Guennic
What governs magnetic exchange couplings in radical-bridged dinuclear complexes? Physical chemistry chemical physics : PCCP (2024)
Gwenhaël Duplaix-Rata, Boris Le Guennic, Grégoire David
Revisiting magnetic exchange couplings in heterodinuclear complexes through the decomposition method in KS-DFT. Physical chemistry chemical physics : PCCP (2023)
Benjamin T Speake, Tom J P Irons, Meilani Wibowo, Andrew G Johnson, Grégoire David, Andrew M Wibowo-Teale
An Embedded Fragment Method for Molecules in Strong Magnetic Fields. Journal of chemical theory and computation (2022)
Grégoire David, Tom J P Irons, Adam E A Fouda, James W Furness, Andrew M Wibowo-Teale
Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Based Approaches. Journal of chemical theory and computation 17 (9) (2021)