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Physical Chemistry Chemical Physics : PCCP
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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 Physical Chemistry. A
|
October 1, 2008
Information theoretical study of chirality: enantiomers with one and two asymmetric centra
Sara Janssens, Alex Borgoo, Christian Van Alsenoy, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 13, 2009
A new view on the spectrochemical and nephelauxetic series on the basis of spin-polarized conceptual DFT
Jan Moens, Pablo Jaque, Frank De Proft, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Hard-soft acid-base interactions of silylenes and germylenes
Julianna Oláh, Frank De Proft, Tamás Veszprémi, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 6, 2021
Extending conceptual DFT to include additional variables: oriented external electric field
Tom Clarys, Thijs Stuyver, Frank De Proft, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 11, 2012
The linear response kernel of conceptual DFT as a measure of aromaticity
Nick Sablon, Frank De Proft, Miquel Solà, 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.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 16, 2013
Reactivity of dicoordinated stannylones (Sn0) versus stannylenes (SnII): an investigation using DFT-based reactivity indices
Lies Broeckaert, Gernot Frenking, Paul Geerlings, et al.
Journal of Chemical Theory and Computation
|
January 5, 2018
Exploring Chemical Space with Alchemical Derivatives: BN-Simultaneous Substitution Patterns in C<sub>60</sub>
Robert Balawender, Michał Lesiuk, 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.
Page
of 17
Search research articles
Search
Showing results (51-60 of 165) with videos related to
Sort By:
Page
of 17
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 Physical Chemistry. A
|
October 1, 2008
Information theoretical study of chirality: enantiomers with one and two asymmetric centra
Sara Janssens, Alex Borgoo, Christian Van Alsenoy, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 13, 2009
A new view on the spectrochemical and nephelauxetic series on the basis of spin-polarized conceptual DFT
Jan Moens, Pablo Jaque, Frank De Proft, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Hard-soft acid-base interactions of silylenes and germylenes
Julianna Oláh, Frank De Proft, Tamás Veszprémi, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 6, 2021
Extending conceptual DFT to include additional variables: oriented external electric field
Tom Clarys, Thijs Stuyver, Frank De Proft, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 11, 2012
The linear response kernel of conceptual DFT as a measure of aromaticity
Nick Sablon, Frank De Proft, Miquel Solà, 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.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 16, 2013
Reactivity of dicoordinated stannylones (Sn0) versus stannylenes (SnII): an investigation using DFT-based reactivity indices
Lies Broeckaert, Gernot Frenking, Paul Geerlings, et al.
Journal of Chemical Theory and Computation
|
January 5, 2018
Exploring Chemical Space with Alchemical Derivatives: BN-Simultaneous Substitution Patterns in C<sub>60</sub>
Robert Balawender, Michał Lesiuk, 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.
Page
of 17