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Researcher
Stijn Fias
Profile
Projects
Publications
Activities
Awards & Distinctions
26
Results
2018
A polynomial-scaling algorithm for computing the probability of observing specified numbers of electrons in multiple domains using correlation functions
Paul Ayers
Guillaume Acke
Stijn Fias
Debajit Chakraborty
Patrick Bultinck
Bookchapter
in
Theoretical and quantum chemistry at the dawn of the 21st century
2018
2016
The local response of global descriptors
Farnaz Heidar-Zadeh
Stijn Fias
Esteban Vöhringer-Martinez
Toon Verstraelen
Paul W Ayers
A1
Journal Article
in
THEORETICAL CHEMISTRY ACCOUNTS
2016
2011
Aromaticity in heterocyclic analogues of benzene : comprehensive analysis of structural aspects, electron delocalization and magnetic characteristics
Irina V Omelchenko
Oleg V Shishkin
Leonid Gorb
Jerzy Leszczynski
Stijn Fias
Patrick Bultinck
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2011
How does aromaticity rule the thermodynamic stability of hydroporphyrins?
Nico Otero
Stijn Fias
Slavko Radenkovic
Patrick Bultinck
Ana M Grana
Marcos Mandado
A1
Journal Article
in
CHEMISTRY-A EUROPEAN JOURNAL
2011
The multi-centre bond index as a measure of aromaticity : is aromaticity a multidimensional concept or not?
Stijn Fias
Patrick Bultinck
Dissertation
2011
2010
Correlation between electron delocalization and ring currents in all metallic 'aromatic' compounds
Patrick Bultinck
Stijn Fias
Marcos Mandado
Robert Ponec
Bookchapter
in
Aromaticity and metal clusters
2010
Multidimensionality of delocalization indices and nucleus independent chemical shifts in polycyclic aromatic hydrocarbons, II : proof of further non-locality
Stijn Fias
Sofie Van Damme
Patrick Bultinck
A1
Journal Article
in
JOURNAL OF COMPUTATIONAL CHEMISTRY
2010
2009
Electrostatic potentials from self-consistent Hirshfeld atomic charges
Sofie Van Damme
Patrick Bultinck
Stijn Fias
A1
Journal Article
in
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
2009
The close relation between cyclic delocalization, energy effects of cycles and aromaticity
Robert Ponec
Stijn Fias
Sofie Van Damme
Patrick Bultinck
Ivan Gutman
Sonja Stankovic
A1
Journal Article
in
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS
2009
2008
Benzoid szénhidrogének aromas és lokális aromás tulajdonságairól
Robert Ponec
Stijn Fias
Patrick Bultinck
Ivan Gutman
Sonja Stankovic
A2
Journal Article
in
Magyar kémiai folyóirat, Kémiai közlemények (Nyomtatott)
2008
Correlation of delocalization indices and current-density maps in polycyclic aromatic hydrocarbons
Stijn Fias
PW FOWLER
JL DELGADO
U HAHN
Patrick Bultinck
A1
Journal Article
in
CHEMISTRY-A EUROPEAN JOURNAL
2008
Evidence from current-density mapping for sigma-delocalisation in the aromatic hexaiodobenzene cation
Remco Havenith
PW FOWLER
Stijn Fias
Patrick Bultinck
A1
Journal Article
in
TETRAHEDRON LETTERS
2008
IS AROMATICITY A MULTIDIMENSIONAL CONCEPT OR NOT
Stijn Fias
Patrick Bultinck
Sofie Van Damme
P.W. Fowler
C3
Conference
2008
Multidimensionality of delocalization indices and nucleus independent chemical shifts in polycyclic aromatic hydrocarbons
Stijn Fias
Sofie Van Damme
Patrick Bultinck
A1
Journal Article
in
JOURNAL OF COMPUTATIONAL CHEMISTRY
2008
PRINCIPLES AND APPLICATION OF THE SELF-CONSISTENT HIRSHFELD ATOMS-IN-MOLECULES METHOD
Stijn Fias
Patrick Bultinck
C3
Conference
2008
2007
Are there atoms in molecules? : the Hirshfeld method revisited
Stijn Fias
Patrick Bultinck
C3
Conference
2007
Critical thoughts on computing atom condensed Fukui functions
Patrick Bultinck
Stijn Fias
C VAN ALSENOY
PW AYERS
Ramon Carbo-Dorca Carre
A1
Journal Article
in
JOURNAL OF CHEMICAL PHYSICS
2007
General discussion
D ASTURIOL
P AYERS
RFW BADER
N BANDEIRA
MA BLANCO
B BRAIDA
Patrick Bultinck
N BURTON
M CHAPMAN
D CLARY
et al.
Editorial material
2007
General discussion
Patrick Bultinck
Stijn Fias
M Sola
Editorial material
2007
The Hirshfeld Atom in the Molecule Revisited
Stijn Fias
Patrick Bultinck
C3
Conference
2007
Uniqueness and basis set dependence of iterative Hirshfeld charges
Patrick Bultinck
PW AYERS
Stijn Fias
Koen Tiels
C VAN ALSENOY
A1
Journal Article
in
CHEMICAL PHYSICS LETTERS
2007
2006
GENERALIZED POPULATION ANALYSIS AND QUANTUM SIMILARITY APPROACH TOWARDS AROMATICITY
Patrick Bultinck
Robert Ponec
Stijn Fias
Ramon Carbo-Dorca Carre
C3
Conference
2006
Generalized Polansky Index as an aromaticity measure in polycyclic aromatic hydrocarbons
Patrick Bultinck
Robert Ponec
Ana Gallegos
Stijn Fias
Sofie Van Damme
Ramon Carbo-Dorca Carre
A1
Journal Article
in
CROATICA CHEMICA ACTA
2006
Local aromaticity in polycyclic aromatic hydrocarbons : electron delocalization versus magnetic indices
Patrick Bultinck
Stijn Fias
R PONEC
A1
Journal Article
in
CHEMISTRY-A EUROPEAN JOURNAL
2006
Woodward-Hoffmann rules in density functional theory: Initial hardness response
F DE PROFT
PW AYERS
Stijn Fias
P GEERLINGS
A1
Journal Article
in
JOURNAL OF CHEMICAL PHYSICS
2006
2005
Spin-polarized conceptual density functional theory study of the regioselectivity in the [2+2] photocycloaddition of enones to substituted alkenes
F DE PROFT
Stijn Fias
C VAN ALSENOY
P GEERLINGS
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY A
2005