Relevance of Orbital Interactions and Pauli Repulsion in the Metal–Metal Bond of Coinage Metals

por Brands, Maria B., Nitsch, Jörn, Guerra, Célia Fonseca
Publicado 2018

Supramolecular Ring Structures of 7-Methylguanine: A Computational Study of Its Self-assembly and Anion Binding

por Paragi, Gábor, Kupihár, Zoltán, Guerra, Célia Fonseca, Bickelhaupt, F. Matthias, Kovács, Lajos
Publicado 2012

Secondary Electrostatic Interaction Model Revised: Prediction Comes Mainly from Measuring Charge Accumulation in Hydrogen-Bonded Monomers

por van der Lubbe, Stephanie C. C., Zaccaria, Francesco, Sun, Xiaobo, Guerra, Célia Fonseca
Publicado 2019

Nature and Strength of Lewis Acid/Base Interaction in Boron and Nitrogen Trihalides

por Rodrigues Silva, Daniela, de Azevedo Santos, Lucas, Freitas, Matheus P., Guerra, Célia Fonseca, Hamlin, Trevor A.
Publicado 2020

Performance of TDDFT Vertical Excitation Energies of Core‐Substituted Naphthalene Diimides

por Narsaria, Ayush K., Ruijter, Julian D., Hamlin, Trevor A., Ehlers, Andreas W., Guerra, Célia Fonseca, Lammertsma, Koop, Bickelhaupt, F. Matthias
Publicado 2020

Efficient Copper-Catalyzed Multicomponent Synthesis of N-Acyl Amidines via Acyl Nitrenes

por van Vliet, Kaj M., Polak, Lara H., Siegler, Maxime A., van der Vlugt, Jarl Ivar, Guerra, Célia Fonseca, de Bruin, Bas
Publicado 2019