Analysis of the magnetic coupling in binuclear systems. III. The role of the ligand to metal charge transfer excitations revisited

On the Relative Merits of Non-Orthogonal and Orthogonal Valence Bond Methods Illustrated on the Hydrogen Molecule

(2009) Jean-Paul Malrieu et al.   JOURNAL OF CHEMICAL EDUCATION

Some considerations on the proper use of computational tools in transition metal chemistry

(2008) Alessandro Bencini   INORGANICA CHIMICA ACTA

An ab initio multireference perturbation theory study on the manganese dimer

(2008) Celestino Angeli et al.   JOURNAL OF CHEMICAL PHYSICS

Toward an effective yet reliable many-body computation of magnetic couplings in bisnitronyl nitroxide biradicals

(2008) Vincenzo Barone et al.   JOURNAL OF CHEMICAL PHYSICS

On the nature of the π → π* ionic excited states: The V state of ethene as a prototype

(2008) Celestino Angeli   JOURNAL OF COMPUTATIONAL CHEMISTRY

Ab Initio Study of Intriguing Coordination Complexes: A Metal Field Theory Picture†

(2008) Nathalie Guihéry et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Inspection of the Duality of a Verdazyl-Based Radical in Transition Metal Complexes: A π* Donor Ligand and a Magnetic Partner

(2008) Jean-Baptiste Rota et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes

(2007) Núria Queralt et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY