Publications by authors named "M Rerat"

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Generation of Helical States - Breaking of Symmetries, Curie's Principle, and Excited States.
Julia Sabalot-Cuzzubbo, William Lafargue-Dit-Hauret, Michel Rérat, Karine Costuas, Didier Bégué

Chemphyschem· June 2023

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Raman spectra and DFT calculations of thiophenol molecules adsorbed on a gold surface.
A Merlen, D Berthomieu, M Edely, M Rerat

Phys Chem Chem Phys· December 2022

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The effect of composition on phonon softening in ABO-type perovskites: DFT modelling.
Gustavo Sophia, Philippe Baranek, Michel Rérat, Roberto Dovesi

Phys Chem Chem Phys· November 2022

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The role of spin density for understanding the superexchange mechanism in transition metal ionic compounds. The case of KMF (M = Mn, Fe, Co, Ni, Cu) perovskites.
Fabien Pascale, Klaus Doll, Alexander Platonenko, Michel Rérat, Roberto Dovesi

Phys Chem Chem Phys· June 2022

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First-Principles Calculation of the Optical Rotatory Power of Periodic Systems: Application on α-Quartz, Tartaric Acid Crystal, and Chiral (n,m)-Carbon Nanotubes.
Michel Rérat, Bernard Kirtman

J Chem Theory Comput· July 2021

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