List of works - Miquel Llunell

Calculation of exchange coupling constants in solid state transition metal compounds using localized atomic orbital basis sets

Color and Conductivity in Cu2O and CuAlO2: A Theoretical Analysis of d10···d10Interactions in Solid-State Compounds

article by Antonio Buljan et al published February 2001 in Chemistry of Materials

Concerning the different roles of cations in metallic Zintl phases: Ba7Ga4Sb9 as a test case

scientific article published on 01 September 2006

Conformational analysis of molecular machines: internal rotation and enantiomerization in triptycyl[3]helicene

scientific article published on 01 June 2008

Distortions in Octahedrally Coordinated d0Transition Metal Oxides: A Continuous Symmetry Measures Approach

scientific article published in July 2006

Electronic Structure and Magnetic Properties of CuFeS2.

scientific article published on 5 May 2015

Electronic structure and bonding in skutterudite-type phosphides

scientific article published on 01 April 1996

Electronic structure and magnetic properties of potassium ozonide KO(3)

scientific article published on 01 July 2009

Electronic structure and spin exchange interactions in Na(2)V(3)O(7): a vanadium(IV) oxide nanotubular phase

scientific article published on 01 July 2009

Electronic structure of Li2Ga and Li9Al4, two solids containing infinite and uniform zigzag chains

scientific article published on 01 January 2005

Electronic structure of the K3Bi2 metallic phase

scientific article

Factors affecting the magnetic coupling in Sr2V3O9 type oxides: As for V substitution in the VO4 tetrahedra and nature of the cation

scientific article published on 01 November 2013

Host-guest interactions, uniform vs fragmented linear atom chains and likeliness of Peierls distortions in the (Ca7N4)[M(x)] (M = Ag, Ga, In) phases

scientific article published on 01 April 2009

Magnetic properties of cyano-bridged Ln3+-M3+ complexes. Part I: trinuclear complexes (Ln3+ = La, Ce, Pr, Nd, Sm; M3+ = FeLS, Co) with bpy as blocking ligand

scientific article published in October 2005

Minimal Distortion Pathways in Polyhedral Rearrangements

scientific article published in February 2004

Molecules and crystals with both icosahedral and cubic symmetry

scientific article published in 2008

Reply to Comment on “Distortions in Octahedrally Coordinated d0Transition Metal Oxides: A Continuous Symmetry Measures Approach”

scientific article published in March 2007

Roles of cations, electronegativity difference, and anionic interlayer interactions in the metallic versus nonmetallic character of Zintl phases related to arsenic

scientific article published on 01 October 2008

Structural stability of quaternary ACuFeS2 (A = Li, K) phases: a computational approach

scientific article published on 16 December 2011

The rich stereochemistry of eight-vertex polyhedra: a continuous shape measures study

scientific article published in February 2005

Theoretical determination of multiple exchange couplings and magnetic susceptibility data in inorganic solids: the prototypical case of Cu2(OH)3NO3.