List of works - Mercè Deumal

A Definition of the Magnetic Transition Temperature Using Valence Bond Theory.

scientific article published on 29 January 2018

A first-principles analysis of the magnetism of CuII polynuclear coordination complexes: the case of [Cu4(bpy)4(aspartate)2(H2O)3](ClO4)4.2.5H2O.

scientific article published on 31 August 2004

Calculation of microscopic exchange interactions and modelling of macroscopic magnetic properties in molecule-based magnets.

scientific article published on 14 February 2011

Direct versus mediated through-space magnetic interactions: A first principles, bottom-up reinvestigation of the magnetism of the pyridyl-verdazyl:hydroquinone molecular co-crystal

scientific article published on 01 May 2006

Dividing the spoils: role of pyrazine ligands and perchlorate counterions in the magnetic properties of bis(pyrazine)diperchloratecopper(II), [Cu(pz)2](ClO4)2.

scientific article

Elucidating the 2D magnetic topology of the 'metal-radical' TTTA⋅Cu(hfac)2 system

scientific article published on 13 May 2014

First-principles bottom-up study of 1D to 3D magnetic transformation in the copper pyrazine dinitrate S = (1)/(2) antiferromagnetic crystal.

scientific article published in February 2010

Origin of the magnetic bistability in molecule-based magnets: a first-principles bottom-up study of the TTTA crystal

scientific article published on 24 November 2010

Revising the common understanding of metamagnetism in the molecule-based bisdithiazolyl BDTMe compound

scientific article published on 31 May 2019

Revisiting the Role of Hydrogen Bonding in the Strong Dimer Superexchange of a 2D Copper(II) Halide Honeycomb-Like Lattice: Structural and Magnetic Study

scientific article published on 12 April 2020

S=1/2 one-dimensional random-exchange ferromagnetic zigzag ladder, which exhibits competing interactions in a critical regime.

scientific article published on 2 June 2014

Studying the origin of the antiferromagnetic to spin-canting transition in the beta-p-NCC6F4CNSSN* molecular magnet

scientific article published on 01 March 2010

Synthesis, Structure, Magnetic Behavior, and Theoretical Analysis of Diazine-Bridged Magnetic Ladders: Cu(quinoxoline)X2 and Cu(2,3-dimethylpyrazine)X2 (X = Cl, Br) ⬇️

scientific article published on May 23, 2012

Synthesis, structure, and magnetic behavior of bis(2-amino-5-fluoropyridinium) tetrachlorocuprate(II).

scientific article published on 17 November 2007

Synthesis, structure, and magnetic properties of an antiferromagnetic spin-ladder complex: bis(2,3-dimethylpyridinium) tetrabromocuprate

scientific article published on 01 January 2007

The key role of vibrational entropy in the phase transitions of dithiazolyl-based bistable magnetic materials

scientific article published on 11 July 2014

The magnetic fingerprint of dithiazolyl-based molecule magnets

scientific article published on 01 August 2018

The magnetism of (5MAP)2CuBr4 [5MAP = 5-methyl-2-aminopyridinium]: a quasi-2D or a 3D magnetic system?

scientific article published on 01 September 2010

The origin of the antiferromagnetic behaviour of the charge-transfer compound (HMTTF)[Ni(mnt)2]

scientific article published on 07 November 2014

The quest for rationalizing the magnetism in purely organic semiquinone-bridged bisdithiazolyl molecular magnets

scientific article published on 01 July 2016

Tracing the sources of the different magnetic behavior in the two phases of the bistable (BDTA)2[Co(mnt)2] compound

scientific article published on 31 July 2012

List of works by Mercè Deumal