E-LIB Suche - Ergebnisse für: David, Grégoire

1

What governs magnetic exchange couplings in radical-bridged..:

David, Grégoire ; Duplaix-Rata, Gwenhaël ; Le Guennic, Boris
Physical Chemistry Chemical Physics. 26 (2024) 11 - p. 8952-8964 , 2024

Link: https://doi.org/10.1039/..

2

Modeling interactions between rubidium atom and magnetomete..:

David, Grégoire ; Wibowo-Teale, Andrew M. ; Rogers, David M.
The Journal of Chemical Physics. 161 (2024) 1 - p. , 2024

Link: https://doi.org/10.1063/..

3

On Entangled Singlet Pure Diradicals:

Trinquier, Georges ; David, Grégoire ; Veillon, Elohan.
The Journal of Physical Chemistry A. 128 (2024) 21 - p. 4252-4267 , 2024

Link: https://doi.org/10.1021/..

4

Revisiting magnetic exchange couplings in heterodinuclear c..:

Duplaix-Rata, Gwenhaël ; Le Guennic, Boris ; David, Grégoire
Physical Chemistry Chemical Physics. 25 (2023) 20 - p. 14170-14178 , 2023

Link: https://doi.org/10.1039/..

5

A Cu12 Metallacycle Assembled from Four C3-Symmetric Spin F..:

Ali, Basharat ; David, Grégoire ; Gendron, Frédéric...
Magnetochemistry. 9 (2023) 5 - p. 122 , 2023

Link: https://doi.org/10.3390/..

6

Biocomposites from poly(3-hydroxybutyrate-co-3-hydroxyvaler..:

Munch, Mélanie ; Buche, Patrice ; Dervaux, Stéphane...
Data in Brief. 42 (2022) - p. 108191 , 2022

Link: https://doi.org/10.1016/..

7

An Embedded Fragment Method for Molecules in Strong Magneti..:

Speake, Benjamin T. ; Irons, Tom J. P. ; Wibowo, Meilani...
Journal of Chemical Theory and Computation. 18 (2022) 12 - p. 7412-7427 , 2022

Link: https://doi.org/10.1021/..

8

Consistent Evaluation of Magnetic Exchange Couplings in Mul..:

David, Grégoire ; Ferré, Nicolas ; Le Guennic, Boris
Journal of Chemical Theory and Computation. 19 (2022) 1 - p. 157-173 , 2022

Link: https://doi.org/10.1021/..

9

Recognizing the long-term impacts of plastic particles for ..:

Gontard, Nathalie ; David, Grégoire ; Guilbert, Alice.
Nature Sustainability. 5 (2022) 6 - p. 472-478 , 2022

Link: https://doi.org/10.1038/..

10

Difficulty of the evaluation of the barrier height of an op..:

David, Grégoire ; Ben Amor, Nadia ; Zeng, Tao...
The Journal of Chemical Physics. 156 (2022) 22 - p. , 2022

Link: https://doi.org/10.1063/..

11

Self-Consistent Field Methods for Excited States in Strong ..:

David, Grégoire ; Irons, Tom J. P. ; Fouda, Adam E. A...
Journal of Chemical Theory and Computation. 17 (2021) 9 - p. 5492-5508 , 2021

Link: https://doi.org/10.1021/..

12

Optimizing Molecular Geometries in Strong Magnetic Fields:

Irons, Tom J. P. ; David, Grégoire ; Teale, Andrew M.
Journal of Chemical Theory and Computation. 17 (2021) 4 - p. 2166-2185 , 2021

Link: https://doi.org/10.1021/..

13

Early remodeling of the colonic mucosa after allogeneic hem..:

Coron, Emmanuel ; Esnaud, Elise ; Chevallier, Patrice...
United European Gastroenterology Journal. 9 (2021) 8 - p. 955-963 , 2021

Link: https://doi.org/10.1002/..

14

Challenges for large scale simulation: general discussion:

Brandenburg, Jan Gerit ; Burke, Kieron ; Civalleri, Bartolomeo...
Faraday Discussions. 224 (2020) - p. 309-332 , 2020

Link: https://doi.org/10.1039/..

15

Using life cycle assessment to quantify the environmental b..:

David, Grégoire ; Croxatto Vega, Giovanna ; Sohn, Joshua...
The International Journal of Life Cycle Assessment. 26 (2020) 4 - p. 738-752 , 2020

Link: https://doi.org/10.1007/..