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Chemistry (Weinheim an Der Bergstrasse, Germany)|November 9, 2017
Conceptual Insights into DFT Spin-State Energetics of Octahedral Transition-Metal Complexes through a Density Difference AnalysisBalazs Pinter, Artiom Chankisjijev, Paul Geerlings, et al.Journal of Computational Chemistry|November 11, 2017
Characterization of chalcogen bonding interactions via an in-depth conceptual quantum chemical analysisFreija De Vleeschouwer, Mats Denayer, Balazs Pinter, et al.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 conceptRobert Balawender, Michael Lesiuk, Frank De Proft, et al.Gels (Basel, Switzerland)|July 21, 2021
Computational Tools to Rationalize and Predict the Self-Assembly Behavior of Supramolecular GelsRuben 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 CHF2INick 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 DescriptorTim 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 ConceptGabriella 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 etherYannick Geboes, Nick Nagels, Balazs Pinter, et al.Physical Chemistry Chemical Physics : PCCP|March 1, 2016
Understanding the molecular switching properties of octaphyrinsT 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 MoleculesFreija De Vleeschouwer, Frank De Proft, Özge Ergün, et al.Pageof 26