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Physical Chemistry Chemical Physics : PCCP
|
October 25, 2019
Exploring chemical space with alchemical derivatives: alchemical transformations of H through Ar and their ions as a proof of concept
Robert Balawender, Michael Lesiuk, Frank De Proft, et al.
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.
Gels (Basel, Switzerland)
|
July 21, 2021
Computational Tools to Rationalize and Predict the Self-Assembly Behavior of Supramolecular Gels
Ruben Van Lommel, Wim M De Borggraeve, Frank De Proft, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 6, 2014
Tuning the halogen/hydrogen bond competition: a spectroscopic and conceptual DFT study of some model complexes involving CHF2I
Nick Nagels, Yannick Geboes, Balazs Pinter, 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.
The Journal of Physical Chemistry. A
|
November 13, 2014
Competition of C(sp²)-X···O halogen bonding and lone pair···π interactions: cryospectroscopic study of the complexes of C₂F₃X (X = F, Cl, Br, and I) and dimethyl ether
Yannick Geboes, Nick Nagels, Balazs Pinter, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 1, 2016
Understanding the molecular switching properties of octaphyrins
T Woller, J Contreras-García, P 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.
Page
of 22
Search research articles
Search
Showing results (101-110 of 211) with videos related to
Sort By:
Page
of 22
Physical Chemistry Chemical Physics : PCCP
|
October 25, 2019
Exploring chemical space with alchemical derivatives: alchemical transformations of H through Ar and their ions as a proof of concept
Robert Balawender, Michael Lesiuk, Frank De Proft, et al.
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.
Gels (Basel, Switzerland)
|
July 21, 2021
Computational Tools to Rationalize and Predict the Self-Assembly Behavior of Supramolecular Gels
Ruben Van Lommel, Wim M De Borggraeve, Frank De Proft, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 6, 2014
Tuning the halogen/hydrogen bond competition: a spectroscopic and conceptual DFT study of some model complexes involving CHF2I
Nick Nagels, Yannick Geboes, Balazs Pinter, 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.
The Journal of Physical Chemistry. A
|
November 13, 2014
Competition of C(sp²)-X···O halogen bonding and lone pair···π interactions: cryospectroscopic study of the complexes of C₂F₃X (X = F, Cl, Br, and I) and dimethyl ether
Yannick Geboes, Nick Nagels, Balazs Pinter, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 1, 2016
Understanding the molecular switching properties of octaphyrins
T Woller, J Contreras-García, P 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.
Page
of 22