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The Journal of Chemical Physics
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November 17, 2017
Extension of the source-sink potential approach to Hartree-Fock and density functional theory: A new tool to visualize the ballistic current through molecules
Stijn Fias, Thijs Stuyver
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 5, 2006
Local aromaticity in polycyclic aromatic hydrocarbons: electron delocalization versus magnetic indices
Patrick Bultinck, Stijn Fias, Robert Ponec
Journal of Chemical Theory and Computation
|
November 27, 2015
Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges
Sofie Van Damme, Patrick Bultinck, Stijn Fias
Journal of Computational Chemistry
|
July 17, 2007
Multidimensionality of delocalization indices and nucleus independent chemical shifts in polycyclic aromatic hydrocarbons
Stijn Fias, Sofie Van Damme, Patrick Bultinck
Journal of Computational Chemistry
|
June 25, 2010
Multidimensionality of delocalization indices and nucleus-independent chemical shifts in polycyclic aromatic hydrocarbons II: proof of further nonlocality
Stijn Fias, Sofie Van Damme, Patrick Bultinck
Physical Chemistry Chemical Physics : PCCP
|
January 23, 2013
σ, π aromaticity and anti-aromaticity as retrieved by the linear response kernel
Stijn Fias, Paul Geerlings, Paul Ayers, et al.
The Journal of Chemical Physics
|
November 17, 2014
The spin polarized linear response from density functional theory: theory and application to atoms
Stijn Fias, Zino Boisdenghien, Frank De Proft, et al.
Chemical Society Reviews
|
February 18, 2014
Conceptual DFT: chemistry from the linear response function
Paul Geerlings, Stijn Fias, Zino Boisdenghien, et al.
The Journal of Chemical Physics
|
December 15, 2006
Woodward-Hoffmann rules in density functional theory: initial hardness response
Frank De Proft, Paul W Ayers, Stijn Fias, et al.
The Journal of Chemical Physics
|
September 22, 2022
Properties of the density functional response kernels and its implications on chemistry
Stijn Fias, Paul W Ayers, Frank De Proft, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 25) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
November 17, 2017
Extension of the source-sink potential approach to Hartree-Fock and density functional theory: A new tool to visualize the ballistic current through molecules
Stijn Fias, Thijs Stuyver
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 5, 2006
Local aromaticity in polycyclic aromatic hydrocarbons: electron delocalization versus magnetic indices
Patrick Bultinck, Stijn Fias, Robert Ponec
Journal of Chemical Theory and Computation
|
November 27, 2015
Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges
Sofie Van Damme, Patrick Bultinck, Stijn Fias
Journal of Computational Chemistry
|
July 17, 2007
Multidimensionality of delocalization indices and nucleus independent chemical shifts in polycyclic aromatic hydrocarbons
Stijn Fias, Sofie Van Damme, Patrick Bultinck
Journal of Computational Chemistry
|
June 25, 2010
Multidimensionality of delocalization indices and nucleus-independent chemical shifts in polycyclic aromatic hydrocarbons II: proof of further nonlocality
Stijn Fias, Sofie Van Damme, Patrick Bultinck
Physical Chemistry Chemical Physics : PCCP
|
January 23, 2013
σ, π aromaticity and anti-aromaticity as retrieved by the linear response kernel
Stijn Fias, Paul Geerlings, Paul Ayers, et al.
The Journal of Chemical Physics
|
November 17, 2014
The spin polarized linear response from density functional theory: theory and application to atoms
Stijn Fias, Zino Boisdenghien, Frank De Proft, et al.
Chemical Society Reviews
|
February 18, 2014
Conceptual DFT: chemistry from the linear response function
Paul Geerlings, Stijn Fias, Zino Boisdenghien, et al.
The Journal of Chemical Physics
|
December 15, 2006
Woodward-Hoffmann rules in density functional theory: initial hardness response
Frank De Proft, Paul W Ayers, Stijn Fias, et al.
The Journal of Chemical Physics
|
September 22, 2022
Properties of the density functional response kernels and its implications on chemistry
Stijn Fias, Paul W Ayers, Frank De Proft, et al.
Page
of 3