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Physical Chemistry Chemical Physics : PCCP
|
November 30, 2010
Should negative electron affinities be used for evaluating the chemical hardness?
Carlos Cárdenas, Paul Ayers, Frank De Proft, et al.
The Journal of Organic Chemistry
|
February 26, 2005
Theoretical study of the addition patterns of C60 fluorination: C60Fn (n = 1-60)
Gregory Van Lier, Montserrat Cases, Christopher P Ewels, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 14, 2009
Analyzing Kullback-Leibler information profiles: an indication of their chemical relevance
Alex Borgoo, Pablo Jaque, Alejandro Toro-Labbé, et al.
The Journal of Physical Chemistry. B
|
August 4, 2011
Valence photoemission spectra of aqueous Fe(2+/3+) and [Fe(CN)6](4-/3-) and their interpretation by DFT calculations
Robert Seidel, Stephan Thürmer, Jan Moens, et al.
Journal of Chemical Theory and Computation
|
December 5, 2015
Calculation of Fukui Functions Without Differentiating to the Number of Electrons. 3. Local Fukui Function and Dual Descriptor
Tim Fievez, Nick Sablon, Frank De Proft, et al.
Scientific Reports
|
November 24, 2017
Heterolytic Splitting of Molecular Hydrogen by Frustrated and Classical Lewis Pairs: A Unified Reactivity Concept
Gabriella Skara, Freija De Vleeschouwer, Paul Geerlings, et al.
Molecules (Basel, Switzerland)
|
November 27, 2021
A Combined Experimental/Quantum-Chemical Study of Tetrel, Pnictogen, and Chalcogen Bonds of Linear Triatomic Molecules
Freija De Vleeschouwer, Frank De Proft, Özge Ergün, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Exploring Chemical Space with the Alchemical Derivatives
Robert Balawender, Meressa A Welearegay, Michał Lesiuk, et al.
The Journal of Organic Chemistry
|
March 7, 2013
Pushing the boundaries of intrinsically stable radicals: inverse design using the thiadiazinyl radical as a template
Freija De Vleeschouwer, Artiom Chankisjijev, Weitao Yang, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 12, 2013
Trans effect and trans influence: importance of metal mediated ligand-ligand repulsion
Balazs Pinter, Veronique Van Speybroeck, Michel Waroquier, et al.
Page
of 17
Search research articles
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Showing results (101-110 of 165) with videos related to
Sort By:
Page
of 17
Physical Chemistry Chemical Physics : PCCP
|
November 30, 2010
Should negative electron affinities be used for evaluating the chemical hardness?
Carlos Cárdenas, Paul Ayers, Frank De Proft, et al.
The Journal of Organic Chemistry
|
February 26, 2005
Theoretical study of the addition patterns of C60 fluorination: C60Fn (n = 1-60)
Gregory Van Lier, Montserrat Cases, Christopher P Ewels, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 14, 2009
Analyzing Kullback-Leibler information profiles: an indication of their chemical relevance
Alex Borgoo, Pablo Jaque, Alejandro Toro-Labbé, et al.
The Journal of Physical Chemistry. B
|
August 4, 2011
Valence photoemission spectra of aqueous Fe(2+/3+) and [Fe(CN)6](4-/3-) and their interpretation by DFT calculations
Robert Seidel, Stephan Thürmer, Jan Moens, et al.
Journal of Chemical Theory and Computation
|
December 5, 2015
Calculation of Fukui Functions Without Differentiating to the Number of Electrons. 3. Local Fukui Function and Dual Descriptor
Tim Fievez, Nick Sablon, Frank De Proft, et al.
Scientific Reports
|
November 24, 2017
Heterolytic Splitting of Molecular Hydrogen by Frustrated and Classical Lewis Pairs: A Unified Reactivity Concept
Gabriella Skara, Freija De Vleeschouwer, Paul Geerlings, et al.
Molecules (Basel, Switzerland)
|
November 27, 2021
A Combined Experimental/Quantum-Chemical Study of Tetrel, Pnictogen, and Chalcogen Bonds of Linear Triatomic Molecules
Freija De Vleeschouwer, Frank De Proft, Özge Ergün, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Exploring Chemical Space with the Alchemical Derivatives
Robert Balawender, Meressa A Welearegay, Michał Lesiuk, et al.
The Journal of Organic Chemistry
|
March 7, 2013
Pushing the boundaries of intrinsically stable radicals: inverse design using the thiadiazinyl radical as a template
Freija De Vleeschouwer, Artiom Chankisjijev, Weitao Yang, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 12, 2013
Trans effect and trans influence: importance of metal mediated ligand-ligand repulsion
Balazs Pinter, Veronique Van Speybroeck, Michel Waroquier, et al.
Page
of 17