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List of works by Gilles A de Wijs

A multi-nuclear magnetic resonance and density functional theory investigation of epitaxially grown InGaP2

scientific article published on 01 August 2016

A solid-state NMR and DFT study of compositional modulations in Al(x)Ga(1-x)As.

scientific article published on 2 August 2010

Ab initio and work function and surface energy anisotropy of LaB6

scientific article published on 01 September 2006

Anionogenic ferromagnets

scientific article published on 01 November 2005

Anionogenic mixed valency in KxBa1-xO2-δ

scientific article published on 11 December 2013

Electronic band structure of tetracene-TCNQ and perylene-TCNQ compounds.

scientific article published on 20 February 2008

Finite-field implementation of NMR chemical shieldings for molecules: direct and converse gauge-including projector-augmented-wave methods.

scientific article

First-principles modelling of magnesium titanium hydrides

scientific article published on 03 February 2010

Hydrogen bonding and chemical shift assignments in carbazole functionalized isocyanides from solid-state NMR and first-principles calculations

scientific article published on 15 June 2011

Interactions of adsorbed CO₂ on water ice at low temperatures ⬇️

scientific article published on 23 June 2014

Intrinsic defects and dopants in LiNH2: a first-principles study

scientific article published on 22 February 2011

NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations. ⬇️

scientific article published in February 2017

Optimizing performance of half-metals at finite temperature

scientific article published on 04 July 2007

Report on the sixth blind test of organic crystal structure prediction methods

scientific article

Spin tunneling in junctions with disordered ferromagnets

scientific article published on 06 February 2008

Symmetry, Dynamics, and Defects in Methylammonium Lead Halide Perovskites

scientific article

The Rich Solid-State Phase Behavior of dl-Aminoheptanoic Acid: Five Polymorphic Forms and Their Phase Transitions

The Role of Connectivity on Electronic Properties of Lead Iodide Perovskite-Derived Compounds.

scientific article

The electronic structure of organic-inorganic hybrid compounds: (NH₄)₂CuCl₄, (CH₃NH₃)₂CuCl₄ and (C₂H₅NH₃)₂CuCl₄.

scientific article published on 27 June 2013

Thermodynamic stability of boron: the role of defects and zero point motion

scientific article

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