Stijn Fias

McMaster University — Canada

Chemistry · Physical Sciences

28h-index2.3kcitations64works0.02yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Synthesis and Properties of Aromatic Compounds(19), Advanced Chemical Physics Studies(18), Crystallography and molecular interactions(11), Molecular Junctions and Nanostructures(10), Fullerene Chemistry and Applications(9)

Publications64 total

Electronegativity as a Ranking of Atoms’ and Functional Groups’ Ability to Take Electrons from Other Moieties in a Molecule
The Journal of Physical Chemistry A·2026
Properties of the density functional response kernels and its implications on chemistry
The Journal of Chemical Physics·2022· 18 cited
Molecular Interactions From the Density Functional Theory for Chemical Reactivity: The Interaction Energy Between Two-Reagents
UNC Libraries·2022Open Access
Molecular interactions from the density functional theory for chemical reactivity: Interaction chemical potential, hardness, and reactivity principles
Frontiers in Chemistry·2022· 45 citedOpen Access
Molecular Interactions From the Density Functional Theory for Chemical Reactivity: The Interaction Energy Between Two-Reagents
Frontiers in Chemistry·2022· 17 citedOpen Access
New Insights and Horizons from the Linear Response Function in Conceptual DFT
IntechOpen eBooks·2019· 11 citedOpen Access
Alchemical Normal Modes Unify Chemical Space
The Journal of Physical Chemistry Letters·2018· 34 citedOpen Access
The axiomatic approach to chemical concepts
Computational and Theoretical Chemistry·2018· 37 cited
A Polynomial-Scaling Algorithm for Computing the Probability of 2bserving Speci¿ed Numbers of Electrons in Multiple Domains Using Correlation Functions
2018
Qualitative Insights into the Transport Properties of Hückel/Möbius (Anti)Aromatic Compounds: Application to Expanded Porphyrins
The Journal of Physical Chemistry C·2018· 22 citedOpen Access
Alchemical normal modes unify chemical space
arXiv (Cornell University)·2018Open Access
Analogies between Density Functional Theory Response Kernels and Derivatives of Thermodynamic State Functions
Zenodo (CERN European Organization for Nuclear Research)·2018· 5 citedOpen Access
Captodative Substitution: A Strategy for Enhancing the Conductivity of Molecular Electronic Devices
The Journal of Physical Chemistry C·2017· 43 citedOpen Access
A reference‐free stockholder partitioning method based on the force on electrons
Journal of Computational Chemistry·2017· 15 cited
Extension of the source-sink potential approach to Hartree-Fock and density functional theory: A new tool to visualize the ballistic current through molecules
The Journal of Chemical Physics·2017· 16 citedOpen Access
Chemical transferability of functional groups follows from the nearsightedness of electronic matter
Proceedings of the National Academy of Sciences·2017· 81 citedOpen Access
Exploring Electrical Currents through Nanographenes: Visualization and Tuning of the through‐Bond Transmission Paths
ChemPhysChem·2017· 31 cited
The local response of global descriptors
Theoretical Chemistry Accounts·2016· 16 cited
Enhancing the conductivity of molecular electronic devices
The Journal of Chemical Physics·2016· 51 cited
The E = E[N, v] functional and the linear response function: a conceptual DFT viewpoint
Theoretical Chemistry Accounts·2016· 15 cited
page 1 of 4Next →

Frequent Co-authors

Paul Geerlings(26), Frank De Proft(26), Paul W. Ayers(15), Patrick Bultinck(13), Thijs Stuyver(10), Farnaz Heidar‐Zadeh(8), Zino Boisdenghien(7), Sofie Van Damme(5), Christian Van Alsenoy(4), Robert Ponec(4), Ramón Alain Miranda‐Quintana(4), Carlos Cárdenas(4), Francisco J. Martín‐Martínez(4), Gregory Van Lier(4), Allison E. A. Chapman(3), Shubin Liu(3), Christophe Morell(3), Tatiana Gómez(3), Ramon Carbó‐Dorca(2), Esteban Vöhringer‐Martinez(2)