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Sablon, Nick, De Proft, Frank, Solà, Miquel, Geerlings, Paul (2012) The linear response kernel of conceptual DFT as a measure of aromaticity. Physical Chemistry Chemical Physics, 14 (11). 3960pp. doi:10.1039/c2cp23372j

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Reference TypeJournal (article/letter/editorial)
TitleThe linear response kernel of conceptual DFT as a measure of aromaticity
JournalPhysical Chemistry Chemical Physics
AuthorsSablon, NickAuthor
De Proft, FrankAuthor
Solà, MiquelAuthor
Geerlings, PaulAuthor
Year2012Volume14
Issue11
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c2cp23372jSearch in ResearchGate
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Mindat Ref. ID4016685Long-form Identifiermindat:1:5:4016685:6
GUID0
Full ReferenceSablon, Nick, De Proft, Frank, Solà, Miquel, Geerlings, Paul (2012) The linear response kernel of conceptual DFT as a measure of aromaticity. Physical Chemistry Chemical Physics, 14 (11). 3960pp. doi:10.1039/c2cp23372j
Plain TextSablon, Nick, De Proft, Frank, Solà, Miquel, Geerlings, Paul (2012) The linear response kernel of conceptual DFT as a measure of aromaticity. Physical Chemistry Chemical Physics, 14 (11). 3960pp. doi:10.1039/c2cp23372j
In(2012) Physical Chemistry Chemical Physics Vol. 14 (11) Royal Society of Chemistry (RSC)

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Sablon, Nick, De Proft, Frank, Geerlings, Paul (2010) The linear response kernel of conceptual DFT as a measure of electron delocalisation. Chemical Physics Letters, 498. 192-197 doi:10.1016/j.cplett.2010.08.031
Fias, Stijn, Geerlings, Paul, Ayers, Paul, De Proft, Frank (2013) σ, π aromaticity and anti-aromaticity as retrieved by the linear response kernel. Physical Chemistry Chemical Physics, 15 (8). 2882pp. doi:10.1039/c2cp43612d
Sablon, Nick, De Proft, Frank, Geerlings, Paul (2010) The Linear Response Kernel: Inductive and Resonance Effects Quantified. The Journal of Physical Chemistry Letters, 1 (8). 1228-1234 doi:10.1021/jz1002132
Sablon, Nick, De Proft, Frank, Geerlings, Paul, Tozer, David J. (2007) On the position of the potential wall in DFT temporary anion calculations. Physical Chemistry Chemical Physics, 9 (44). 5880pp. doi:10.1039/b711428a
Geerlings, Paul, Fias, Stijn, Boisdenghien, Zino, De Proft, Frank (2014) Conceptual DFT: chemistry from the linear response function. Chemical Society Reviews, 43. 4989pp. doi:10.1039/c3cs60456j
De Proft, Frank, Geerlings, Paul (2001) Conceptual and Computational DFT in the Study of Aromaticity. Chemical Reviews, 101 (5) 1451-1464 doi:10.1021/cr9903205
Geerlings, P., De Proft, F. (2008) Conceptual DFT: the chemical relevance of higher response functions. Physical Chemistry Chemical Physics, 10 (21). 3028pp. doi:10.1039/b717671f
Torrent-Sucarrat, Miquel, De Proft, Frank, Geerlings, Paul (2005) Stiffness and Raman Intensity:  a Conceptual and Computational DFT Study. The Journal of Physical Chemistry A, 109 (27). 6071-6076 doi:10.1021/jp044150y
Bettens, Tom, Alonso, Mercedes, Geerlings, Paul, De Proft, Frank (2019) Implementing the mechanical force into the conceptual DFT framework: understanding and predicting molecular mechanochemical properties. Physical Chemistry Chemical Physics, 21 (14). 7378-7388 doi:10.1039/c8cp07349j
Fias, Stijn, Boisdenghien, Zino, Stuyver, Thijs, Audiffred, Martha, Merino, Gabriel, Geerlings, Paul, de Proft, Frank (2013) Analysis of Aromaticity in Planar Metal Systems using the Linear Response Kernel. The Journal of Physical Chemistry A, 117 (16). 3556-3560 doi:10.1021/jp401760j
Boisdenghien, Zino, Fias, Stijn, Van Alsenoy, Christian, De Proft, Frank, Geerlings, Paul (2014) Evaluating and interpreting the chemical relevance of the linear response kernel for atoms II: open shell. Physical Chemistry Chemical Physics, 16 (28). 14614pp. doi:10.1039/c4cp01331j
 
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