Nathalie Guihéry

Bond electron pair: Its relevance and analysis from the quantum chemistry point of view

Celestino Angeli, Carmen Jiménez Calzado, Jean-Paul Malrieu, 2007, J. Comput. Chem..

Rationalization of the behavior of M2(CH3CS2)4I (M = Ni, Pt) chains at room temperature from periodic density functional theory and ab initio cluster calculations

Coen de Graaf, Nathalie Guihéry, Xavier López, 2012, J. Comput. Chem..

Magnetic interactions in molecules and highly correlated materials: physical content, analytical derivation, and rigorous extraction of magnetic Hamiltonians.

Nathalie Guihéry, J. Malrieu, R. Caballol, 2014, Chemical reviews.

Spin decontamination of broken-symmetry density functional theory calculations: deeper insight and new formulations.

Jean-Paul Malrieu, Nicolas Ferré, Nathalie Guihéry, 2015, Physical chemistry chemical physics : PCCP.

Direct generation of local orbitals for multireference treatment and subsequent uses for the calculation of the correlation energy

Stefano Evangelisti, Daniel Maynau, Jean-Paul Malrieu, 2002 .

Local orbitals for quasi-degenerate systems

Celestino Angeli, Stefano Evangelisti, Thierry Leininger, 2004 .

Correlated description of multiple bonds using localized active orbitals

Stefano Evangelisti, Daniel Maynau, Jean-Paul Malrieu, 2001 .

Tools for Predicting the Nature and Magnitude of Magnetic Anisotropy in Transition Metal Complexes: Application to Co(II) Complexes

Rémi Maurice, Nathalie Guihéry, N. Guihéry, 2016 .