Corentin Boilleau

发表

Is it possible to determine rigorous magnetic Hamiltonians in spin s = 1 systems from density functional theory calculations?

J. Malrieu, N. Guihéry, P. Labéguerie, 2008, The Journal of chemical physics.

Polarized Neutron Diffraction to Probe Local Magnetic Anisotropy of a Low-Spin Fe(III) Complex.

B. le Guennic, K. Costuas, G. Chaboussant, 2016, Angewandte Chemie.

Ruthenium Carbon-Rich Group as a Redox-Switchable Metal Coupling Unit in Linear Trinuclear Complexes.

T. Roisnel, K. Costuas, P. Turek, 2017, Inorganic chemistry.

Possible use of DFT approaches for the determination of double exchange interactions

J. Malrieu, N. Guihéry, R. Bastardis, 2010 .

A bottom-up valence bond derivation of excitation energies in 1D-like delocalized systems.

M. Képénekian, V. Robert, J. Malrieu, 2012, Physical chemistry chemical physics : PCCP.

Light-induced excited spin state trapping: ab initio study of the physics at the molecular level.

N. Guihéry, P. Labéguerie, N. Suaud, 2009, Journal of the American Chemical Society.

Structure-Properties Relationships in Triplet Ground State Organic Diradicals: A Computational Study.

I. Cacelli, G. Prampolini, V. Barone, 2013, Journal of chemical theory and computation.

Conformational Effects on the Magnetic Properties of an Organic Diradical: A Computational Study.

I. Cacelli, G. Prampolini, V. Barone, 2013, Journal of chemical theory and computation.

Ab initio study of the influence of structural parameters on the potential energy surfaces of spin-crossover Fe(II) model compounds.

N. Guihéry, N. Suaud, Corentin Boilleau, 2012, The Journal of chemical physics.