Publications by authors named "Pascal Vermeeren"

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Hydrogen Bond Benchmark: Focal-Point Analysis and Assessment of DFT Functionals.
Erica C Mitchell, Lucas Azevedo Santos, Pascal Vermeeren, Mitchell E Lahm, Célia Fonseca Guerra

J Comput Chem· November 2025

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The Nature and Stability of Transition Metal-Anchored Nitrogen-Doped Graphene Single-Atom Catalysts.
Angelina N van Dam, Pascal Vermeeren

Chemistry· August 2025

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Understanding the S2 Versus E2 Competition.
Pascal Vermeeren, Thomas Hansen, Trevor A Hamlin, F Matthias Bickelhaupt

Chemistry· July 2025

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Structure-property relationships to direct the dynamic properties of acylsemicarbazide-based materials.
Stefan J D Maessen, Siebe Lekanne Deprez, Pascal Vermeeren, Bart W L van den Bersselaar, Martin Lutz

Polym Chem· January 2025

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Nature and stability of the chemical bond in H3C-XHn (XHn = CH3, NH2, OH, F, Cl, Br, I).
Pascal Vermeeren, F Matthias Bickelhaupt

J Chem Phys· January 2025

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Synthesis, Reactivity, and Bonding Analysis of a Tetracoordinated Nickel Carbene.
Pablo M Pérez-García, María L G Sansores-Paredes, Célia Fonseca Guerra, Pascal Vermeeren, Marc-Etienne Moret

Chemistry· December 2024

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"Hydridic Hydrogen-Bond Donors" Are Not Hydrogen-Bond Donors.
Lucas de Azevedo Santos, Pascal Vermeeren, F Matthias Bickelhaupt, Célia Fonseca Guerra

J Am Chem Soc· September 2024

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Correction: Not antiaromaticity gain, but increased asynchronicity enhances the Diels-Alder reactivity of tropone.
Eveline H Tiekink, Pascal Vermeeren, Trevor A Hamlin

Chem Commun (Camb)· April 2024

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Correction: Pericyclic reaction benchmarks: hierarchical computations targeting CCSDT(Q)/CBS and analysis of DFT performance.
Pascal Vermeeren, Marco Dalla Tiezza, Mark E Wolf, Mitchell E Lahm, Wesley D Allen

Phys Chem Chem Phys· March 2024

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Understanding chemistry with the symmetry-decomposed Voronoi deformation density charge analysis.
Celine Nieuwland, Pascal Vermeeren, F Matthias Bickelhaupt, Célia Fonseca Guerra

J Comput Chem· October 2023

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S 2 versus E2 Competition of Cyclic Ethers.
Thomas Hansen, Pascal Vermeeren, Kim W J Zijderveld, F Matthias Bickelhaupt, Trevor A Hamlin

Chemistry· September 2023

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The Origin of Catalysis and Regioselectivity of Lewis Acid-Catalyzed Diels-Alder Reactions with Tropone.
Eveline H Tiekink, Pascal Vermeeren, Trevor A Hamlin

Chemistry· July 2023

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On the existence of collective interactions reinforcing the metal-ligand bond in organometallic compounds.
Jordi Poater, Pascal Vermeeren, Trevor A Hamlin, F Matthias Bickelhaupt, Miquel Solà

Nat Commun· July 2023

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Not antiaromaticity gain, but increased asynchronicity enhances the Diels-Alder reactivity of tropone.
Eveline H Tiekink, Pascal Vermeeren, Trevor A Hamlin

Chem Commun (Camb)· March 2023

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How Bases Catalyze Diels-Alder Reactions.
Song Yu, Eveline H Tiekink, Pascal Vermeeren, F Matthias Bickelhaupt, Trevor A Hamlin

Chemistry· February 2023

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Stability of alkyl carbocations.
Thomas Hansen, Pascal Vermeeren, F Matthias Bickelhaupt, Trevor A Hamlin

Chem Commun (Camb)· October 2022

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The 1,3-Dipolar Cycloaddition: From Conception to Quantum Chemical Design.
Steven E Beutick, Pascal Vermeeren, Trevor A Hamlin

Chem Asian J· September 2022

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Pericyclic reaction benchmarks: hierarchical computations targeting CCSDT(Q)/CBS and analysis of DFT performance.
Pascal Vermeeren, Marco Dalla Tiezza, Mark E Wolf, Mitchell E Lahm, Wesley D Allen

Phys Chem Chem Phys· August 2022

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How Ionization Catalyzes Diels-Alder Reactions.
Pascal Vermeeren, Trevor A Hamlin, F Matthias Bickelhaupt

Chemistry· July 2022

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How Ionization Catalyzes Diels-Alder Reactions.
Pascal Vermeeren, Trevor A Hamlin, F Matthias Bickelhaupt

Chemistry· July 2022

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S2 versus S2' Competition.
Thomas Hansen, Pascal Vermeeren, Lea de Jong, F Matthias Bickelhaupt, Trevor A Hamlin

J Org Chem· July 2022

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σ-Electrons Responsible for Cooperativity and Ring Equalization in Hydrogen-Bonded Supramolecular Polymers.
Lucas de Azevedo Santos, Diego Cesario, Pascal Vermeeren, Stephanie C C van der Lubbe, Francesca Nunzi

Chempluschem· February 2022

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σ-Electrons Responsible for Cooperativity and Ring Equalization in Hydrogen-Bonded Supramolecular Polymers.
Lucas de Azevedo Santos, Diego Cesario, Pascal Vermeeren, Stephanie C C van der Lubbe, Francesca Nunzi

Chempluschem· February 2022

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Origin of asynchronicity in Diels-Alder reactions.
Pascal Vermeeren, Trevor A Hamlin, F Matthias Bickelhaupt

Phys Chem Chem Phys· September 2021

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How metallylenes activate small molecules.
Pascal Vermeeren, Michael T Doppert, F Matthias Bickelhaupt, Trevor A Hamlin

Chem Sci· February 2021

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