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Organic Letters|December 30, 2014
Synthesis of 2-spiropseudoindoxyls via an intramolecular nitroalkyne redox-dipolar cycloaddition cascadeNiels Marien, Ben Brigou, Balazs Pinter, et al.Journal of Computational Chemistry|September 30, 2016
Assessing the attractive/repulsive force balance in axial cyclohexane C-Hax ···Yax contacts: A combined computational analysis in monosubstituted cyclohexanesCarlos Silva Lopez, Olalla Nieto Faza, Frank De Proft, et al.Inorganic Chemistry|February 12, 2016
Scrutinizing the Noninnocence of Quinone Ligands in Ruthenium Complexes: Insights from Structural, Electronic, Energy, and Effective Oxidation State AnalysesGabriella Skara, Marti Gimferrer, Frank De Proft, et al.Physical Chemistry Chemical Physics : PCCP|December 12, 2023
Wandering through quantum-mechanochemistry: from concepts to reactivity and switchesMercedes Alonso, Tom Bettens, Jochen Eeckhoudt, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|June 10, 2020
Alkaline Earth Metals Activate N2 and CO in Cubic Complexes Just Like Transition Metals: A Conceptual Density Functional Theory and Energy Decomposition Analysis StudyTom Bettens, Sudip Pan, Frank De Proft, et al.Molecules (Basel, Switzerland)|June 6, 2018
Aromaticity as a Guiding Concept for Spectroscopic Features and Nonlinear Optical Properties of PorphyrinoidsTatiana Woller, Paul Geerlings, Frank De Proft, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|September 1, 2007
Can electrophilicity act as a measure of the redox potential of first-row transition metal ions?Jan Moens, Goedele Roos, Pablo Jaque, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|August 2, 2008
Do the local softness and hardness indicate the softest and hardest regions of a molecule?Miquel Torrent-Sucarrat, Frank De Proft, Paul Geerlings, et al.The Journal of Physical Chemistry. A|November 4, 2008
Intrinsic nucleofugality scale within the framework of density functional reactivity theoryLies Broeckaert, Jan Moens, Goedele Roos, et al.Inorganic Chemistry|May 2, 2023
Mechanistic Study and Conceptual Chemical Reactivity Analysis of Hydroboration of Carbon Dioxide Catalyzed by a Manganese(I)-PNP-Pincer ComplexBin Wang, Chunying Rong, Ming Lei, et al.Pageof 26