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Physical Chemistry Chemical Physics : PCCP|June 22, 2013
Tuning aromaticity patterns and electronic properties of armchair graphene nanoribbons with chemical edge functionalisationFrancisco J Martin-Martinez, Stijn Fias, Gregory Van Lier, et al.Journal of Chemical Information and Modeling|February 11, 2015
Convergence of atomic charges with the size of the enzymatic environmentDanny E P Vanpoucke, Julianna Oláh, Frank De Proft, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|February 20, 2015
Conceptual quantum chemical analysis of bonding and noncovalent interactions in the formation of frustrated Lewis pairsGabriella Skara, Balazs Pinter, Jens Top, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|August 31, 2002
Magnetic properties and aromaticity of o-, m-, and p-benzyneFrank De Proft, Paul von Ragué Schleyer, Joop H van Lenthe, et al.The Journal of Physical Chemistry. A|March 29, 2013
Analysis of aromaticity in planar metal systems using the linear response kernelStijn Fias, Zino Boisdenghien, Thijs Stuyver, et al.Inorganic Chemistry|October 22, 2009
Nonconventional behavior of NCN-chelated organoantimony(III) sulfide and isolation of cyclic organoantimony(III) bis(pentasulfide)Libor Dostál, Roman Jambor, Ales Růzicka, et al.The Journal of Organic Chemistry|May 14, 2021
Designing Force Probes Based on Reversible 6π-Electrocyclizations in Polyenes Using Quantum Chemical CalculationsTom Bettens, Jochen Eeckhoudt, Marvin Hoffmann, et al.Physical Chemistry Chemical Physics : PCCP|May 5, 2023
Can we predict ambident regioselectivity using the chemical hardness?Ramón Alain Miranda-Quintana, Alberto Vela, Frank De Proft, et al.Physical Chemistry Chemical Physics : PCCP|May 15, 2024
Symmetry and reactivity of π-systems in electric and magnetic fields: a perspective from conceptual DFTMeilani Wibowo-Teale, Bang C Huynh, Andrew M Wibowo-Teale, et al.Angewandte Chemie (International Ed. in English)|February 2, 2026
Selective Carbocation Functionalization by Catalytic Transchalcogenation ReactionsJesse Dallenes, Sergio Posada-Pérez, Jonas Wuyts, et al.Pageof 26