List of works - Stijn Fias

A reference-free stockholder partitioning method based on the force on electrons

scientific article published on 19 November 2017

Alchemical Normal Modes Unify Chemical Space

scientific article published on 20 December 2018

Analysis of aromaticity in planar metal systems using the linear response kernel

scientific article published on 15 April 2013

Aromaticity in heterocyclic analogues of benzene: comprehensive analysis of structural aspects, electron delocalization and magnetic characteristics

scientific article published on 04 July 2011

Chemical transferability of functional groups follows from the nearsightedness of electronic matter

scientific article

Conceptual DFT: chemistry from the linear response function

scientific article published on 17 February 2014

Conduction of molecular electronic devices: qualitative insights through atom-atom polarizabilities

scientific article published in March 2015

Correlation of delocalization indices and current-density maps in polycyclic aromatic hydrocarbons

scientific article published in January 2008

Critical thoughts on computing atom condensed Fukui functions

scientific article published in July 2007

Electronic structure and aromaticity of graphene nanoribbons.

scientific article published on 19 April 2012

Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges

scientific article published in February 2009

Evaluating and interpreting the chemical relevance of the linear response kernel for atoms II: open shell

scientific article published on 01 July 2014

Extension of the source-sink potential approach to Hartree-Fock and density functional theory: A new tool to visualize the ballistic current through molecules.

scientific article

Fast and accurate predictions of covalent bonds in chemical space ⬇️

scientific article published on 01 May 2016

How does aromaticity rule the thermodynamic stability of hydroporphyrins?

scientific article published on 15 February 2011

Local aromaticity in polycyclic aromatic hydrocarbons: electron delocalization versus magnetic indices

scientific article published in November 2006

Multidimensionality of delocalization indices and nucleus independent chemical shifts in polycyclic aromatic hydrocarbons

scientific article published in February 2008

Multidimensionality of delocalization indices and nucleus-independent chemical shifts in polycyclic aromatic hydrocarbons II: proof of further nonlocality.

scientific article published on September 2010

Spin-polarized conceptual density functional theory study of the regioselectivity in the [2+2] photocycloaddition of enones to substituted alkenes

scientific article published on 01 July 2005

The spin polarized linear response from density functional theory: theory and application to atoms

scientific article published in November 2014

Uniqueness and basis set dependence of iterative Hirshfeld charges

Woodward-Hoffmann rules in density functional theory: initial hardness response

scientific article published on 01 December 2006

σ, π aromaticity and anti-aromaticity as retrieved by the linear response kernel

scientific article published on 22 January 2013

List of works by Stijn Fias