Publications

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Results: 471

Jordi Poater, Clara Viñas, Sílvia Escayola, Miquel Solà, Francesc Teixidor
Pioneering the Power of Twin Bonds in a Revolutionary Double Bond Formation. Unveiling the True Identity of o‐Carboryne as o‐Carborene
Chemistry A European J, 2023, [], e202302448
DOI: 10.1002/chem.202302448
Keywords: Aromaticity, Chemical bonding, Organometallics

Daniel E. Trujillo-González, Gerardo González, Jose Oscar Carlos Jimenez-Halla, Miquel Solà
Beryllium Compounds for the Carbon–Halogen Bond Activation of Phenyl Halides: The Role of Non-Innocent Ligands
Dalton Trans., 2023, 52, 13068-13078
DOI: 10.1039/D3DT02251J
Keywords: Electron and energy transfer, Excited states, Non-covalent interactions, Photovoltaic materials

Daniel E. Trujillo-González, Gerardo González-García, Trevor A. Hamlin, F. Matthias Bickelhaupt, Holger Braunschweig, J. OscarC. Jiménez-Halla, Miquel Solà
The Search for Enhanced σ‐Donor Ligands to Stabilize Boron‐Boron Multiple Bonds
Eur J Inorg Chem, 2023, 26, e202200767
DOI: 10.1002/ejic.202200767
Keywords: Chemical bonding, Computational chemistry

Qin Zhu, Shuwen Chen, Dandan Chen, Lu Lin, Kui Xiao, Liang Zhao, Miquel Solà, Jun Zhu
The application of aromaticity and antiaromaticity to reaction mechanisms
Fundamental Research, 2023, [], ASAP-
DOI: 10.1016/j.fmre.2023.04.004
Keywords: Aromaticity, Cycloaddition, Fullerenes, Reaction mechanisms

JesúsAntonio Luque-Urrutia, Thalía Ortiz-García, Miquel Solà, Albert Poater
Green Energy by Hydrogen Production from Water Splitting, Water Oxidation Catalysis and Acceptorless Dehydrogenative Coupling
Inorganics, 2023, 11, 88-
DOI: 10.3390/inorganics11020088
Keywords: Catalysis, Organometallics, Predictive Chemistry, Reaction mechanisms, Sustainable Catalysis

Enric Sabater, Miquel Solà, Pedro Salvador, Diego M. Andrada
Cage‐size effects on the encapsulation ofP by fullerenes
J Comput Chem, 2023, 44, 268-277
DOI: 10.1002/jcc.26884
Keywords: Chemical bonding, Confined space, Density Functional Theory, Endohedral fullerenes, Real-space analysis

Henrik Ottosson, Bo Durbeej, Miquel Solà
Excited‐state aromaticity and antiaromaticity special issue
J of Physical Organic Chem, 2023, 36, e4468
DOI: 10.1002/poc.4468
Keywords: Aromaticity, Excited states

Fangxiang Sun, Shuaimin Tan, Hou-Ji Cao, Chang-sheng Lu, Deshuang Tu, Jordi Poater, Miquel Solà, Hong Yan
Facile Construction of New Hybrid Conjugation via Boron Cage Extension
J. Am. Chem. Soc, 2023, 145, 3577-3587
DOI: 10.1021/jacs.2c12526
Keywords: Aromaticity, Chemical bonding, Computational chemistry, Cycloaddition, Electron delocalization

Jordi Poater, Sílvia Escayola, Albert Poater, Francesc Teixidor, Henrik Ottosson, Clara Viñas, Miquel Solà
Single─Not Double─3D-Aromaticity in an OxidizedCloso Icosahedral Dodecaiodo-Dodecaborate Cluster
J. Am. Chem. Soc., 2023, [], ASAP-
DOI: 10.1021/jacs.3c07335
Keywords: Aromaticity, Chemical bonding, Excited states, Nanomaterials

Pau Besalú-Sala, Alexander A. Voityuk, Josep M. Luis, Miquel Solà
Effect of external electric fields in the charge transfer rates of donor–acceptor dyads: A straightforward computational evaluation
J. Chem. Phys, 2023, 158, 244111
DOI: 10.1063/5.0148941
Keywords: Chemical bonding, Electron and energy transfer, Excited states, Method development, Photovoltaic materials