Pyrrole and Pyridine in the Water Environment—Effect of Discrete and Continuum Solvation Models

por Zborowski, Krzysztof K., Poater, Jordi
Publicado 2021

Aromaticity Determines the Relative Stability of Kinked vs. Straight Topologies in Polycyclic Aromatic Hydrocarbons

por Poater, Jordi, Duran, Miquel, Solà, Miquel
Publicado 2018

3D and 2D aromatic units behave like oil and water in the case of benzocarborane derivatives

por Poater, Jordi, Viñas, Clara, Solà, Miquel, Teixidor, Francesc
Publicado 2022

Path-dependency of energy decomposition analysis & the elusive nature of bonding

por Poater, Jordi, Andrada, Diego M., Solà, Miquel, Foroutan-Nejad, Cina
Publicado 2021

Aromaticity and Extrusion of Benzenoids Linked to [o‐COSAN](−): Clar Has the Answer

por Poater, Jordi, Viñas, Clara, Olid, David, Solà, Miquel, Teixidor, Francesc
Publicado 2022

para-Selective C–H Olefination of Aniline Derivatives via Pd/S,O-Ligand Catalysis

por Naksomboon, Kananat, Poater, Jordi, Bickelhaupt, F. Matthias, Fernández-Ibáñez, M. Ángeles
Publicado 2019

Rational design of iron catalysts for C–X bond activation

por Sun, Xiaobo, Hansen, Thomas, Poater, Jordi, Hamlin, Trevor A., Bickelhaupt, Friedrich Matthias
Publicado 2022

On the existence of collective interactions reinforcing the metal-ligand bond in organometallic compounds

por Poater, Jordi, Vermeeren, Pascal, Hamlin, Trevor A., Bickelhaupt, F. Matthias, Solà, Miquel
Publicado 2023

Cage(–)···Cage(–) Interaction: Boron Cluster-Based Noncovalent Bond and Its Applications in Solid-State Materials

por Tu, Deshuang, Li, Jiaxin, Sun, Fangxiang, Yan, Hong, Poater, Jordi, Solà, Miquel
Publicado 2021

Insertion of CO(2) and CS(2) into Bi–N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer

por Oberdorf, Kai, Hanft, Anna, Xie, Xiulan, Bickelhaupt, F. Matthias, Poater, Jordi, Lichtenberg, Crispin
Publicado 2023

Controlling the Diradical Character of Thiele Like Compounds

por Anglada, Josep M., Poater, Jordi, Moreira, Ibério de P. R., Bofill, Josep Maria
Publicado 2023

PyFrag 2019—Automating the exploration and analysis of reaction mechanisms

por Sun, Xiaobo, Soini, Thomas M., Poater, Jordi, Hamlin, Trevor A., Bickelhaupt, F. Matthias
Publicado 2019

Unravelling Enzymatic Features in a Supramolecular Iridium Catalyst by Computational Calculations

por Tomasini, Michele, Caporaso, Lucia, Trouvé, Jonathan, Poater, Jordi, Gramage‐Doria, Rafael, Poater, Albert
Publicado 2022

Single—Not Double—3D-Aromaticity in an Oxidized Closo Icosahedral Dodecaiodo-Dodecaborate Cluster

por Poater, Jordi, Escayola, Sílvia, Poater, Albert, Teixidor, Francesc, Ottosson, Henrik, Viñas, Clara, Solà, Miquel
Publicado 2023

Understanding the differences between iron and palladium in cross-coupling reactions

por Sun, Xiaobo, J. Rocha, Marcus V., Hamlin, Trevor A., Poater, Jordi, Bickelhaupt, F. Matthias
Publicado 2019

Nature of the Ru−NO Coordination Bond: Kohn–Sham Molecular Orbital and Energy Decomposition Analysis

por Orenha, Renato P., Rocha, Marcus V. J., Poater, Jordi, Galembeck, Sérgio E., Bickelhaupt, F. Matthias
Publicado 2017

Stabilization of 2,6-Diarylanilinum Cation by Through-Space Cation−π Interactions

por Simó Padial, Joan, Poater, Jordi, Nguyen, D. Thao, Tinnemans, Paul, Bickelhaupt, F. Matthias, Mecinović, Jasmin
Publicado 2017

Carbon monoxide insertion at a heavy p-block element: unprecedented formation of a cationic bismuth carbamoyl

por Ramler, Jacqueline, Poater, Jordi, Hirsch, Florian, Ritschel, Benedikt, Fischer, Ingo, Bickelhaupt, F. Matthias, Lichtenberg, Crispin
Publicado 2019

Bismuth Amides Mediate Facile and Highly Selective Pn–Pn Radical‐Coupling Reactions (Pn=N, P, As)

por Oberdorf, Kai, Hanft, Anna, Ramler, Jacqueline, Krummenacher, Ivo, Bickelhaupt, F. Matthias, Poater, Jordi, Lichtenberg, Crispin
Publicado 2021

Probing the Lewis Acidity of Boronic Acids through Interactions with Arene Substituents

por Jian, Jie, Hammink, Roel, McKenzie, Christine J., Bickelhaupt, F. Matthias, Poater, Jordi, Mecinović, Jasmin
Publicado 2022