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Physical Chemistry Chemical Physics : PCCP|March 23, 2019
Implementing the mechanical force into the conceptual DFT framework: understanding and predicting molecular mechanochemical propertiesTom Bettens, Mercedes Alonso, Paul Geerlings, et al.The Journal of Organic Chemistry|February 3, 2023
Mechanochemical Felkin-Anh Model: Achieving Forbidden Reaction Outcomes with Mechanical ForceTom Bettens, Mercedes Alonso, Paul Geerlings, et al.Chemical Science|June 14, 2021
The hunt for reactive alkynes in bio-orthogonal click reactions: insights from mechanochemical and conceptual DFT calculationsTom Bettens, Mercedes Alonso, Paul Geerlings, 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)|November 10, 2020
Mechanochemically Triggered Topology Changes in Expanded PorphyrinsTom Bettens, Marvin Hoffmann, Mercedes Alonso, 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.Chemistry (Weinheim an Der Bergstrasse, Germany)|July 19, 2012
Viability of Möbius topologies in [26]- and [28]hexaphyrinsMercedes Alonso, Paul Geerlings, Frank de ProftChemistry (Weinheim an Der Bergstrasse, Germany)|December 21, 2012
Topology switching in [32]heptaphyrins controlled by solvent, protonation, and meso substituentsMercedes Alonso, Paul Geerlings, Frank De ProftThe Journal of Organic Chemistry|April 5, 2013
Conformational control in [22]- and [24]pentaphyrins(1.1.1.1.1) by meso substituents and their N-fusion reactionMercedes Alonso, Paul Geerlings, Frank De ProftChemistry (Weinheim an Der Bergstrasse, Germany)|October 15, 2015
Metalated Hexaphyrins: From Understanding to Rational DesignMercedes Alonso, Balazs Pinter, Paul Geerlings, et al.Pageof 35